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3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile

3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile structure

CAS No:
17613-25-1
Formula:
C12H12N2O
Chemical Name:
3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
Synonyms:
17613-25-1;3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropanenitrile;NSC201565;Oprea1_632460;SCHEMBL2088147;3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile;DTXSID30308041;3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanenitrile;ZINC5328108;BBL006830;MFCD00278218;STL134847;AKOS000180729;MCULE-6468472751;NSC-201565;F1908-1927;2(1H)-Isoquinolinepropanenitrile, 3,4-dihydro-beta-oxo-;3-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-oxopropanenitrile;3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanenitrile

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3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

200.24 g/mol

Exact Mass：

200.094963011 g/mol

NSC Number：

201565

DSSTox ID：

DTXSID30308041

Characteristics

PSA：

44.1 Å²

Computed Properties

Molecular Weight:200.24
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:200.094963011
Monoisotopic Mass:200.094963011
Topological Polar Surface Area:44.1
Heavy Atom Count:15
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon tetrabromide; acetic acid formula; ammonium bicarbonate; ambeed; naoh sds; 2-butanol

Guide of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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