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1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone

1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone structure

CAS No:
109210-52-8
Formula:
C13H16N2O3
Chemical Name:
1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
Synonyms:
Cyclic 2-hydroxymelatonin isomer; Ethanone,1-(3,3a,8,8a-tetrahydro-8a-hydroxy-5-methoxypyrrolo[2,3-b]indol-1(2H)-yl); Pyrrolo(2,3-b)indol-8a(1H)-ol,1-acetyl-2,3,3a,8-tetrahydro-5-methoxy; CHMI;

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1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone Basic Attributes

Molecular Weight：

248.27800

Exact Mass：

248.11609238 g/mol

Characteristics

PSA：

61.80000

XLogP3：

1.17850

Density：

1.328g/cm3

Boiling Point：

457.7ºC

Flash Point：

230.6ºC

Refractive Index：

1.617

Vapor Pressure：

3.58E-09mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indole

Computed Properties

Molecular Weight:248.28
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:248.11609238
Monoisotopic Mass:248.11609238
Topological Polar Surface Area:61.8
Heavy Atom Count:18
Complexity:362
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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