2-[(Z)-3-phenylprop-2-enyl]propanedinitrile

C12H10N2 — CID 121008435

IUPAC2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
SMILESN#CC(C#N)C/C=C\c1ccccc1
InChIInChI=1S/C12H10N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,12H,8H2/b7-4-
InChIKeyHFCKOMYXGJXBCV-DAXSKMNVSA-N
MW182.23 g/mol
LogP2.75
Rot. Bonds3

About 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile

2-[(Z)-3-phenylprop-2-enyl]propanedinitrile (PubChem CID 121008435) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile.

Molecular Properties

Compound Name2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
PubChem CID121008435
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
SMILESN#CC(C#N)C/C=C\c1ccccc1
InChIInChI=1S/C12H10N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,12H,8H2/b7-4-
InChIKeyHFCKOMYXGJXBCV-DAXSKMNVSA-N
XLogP2.75
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(diethylamino)-5-phenylpent-4-enenitrile
CID 102076929
4-chloropent-1-enylbenzene
CID 66808272
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-en-2-amine
CID 55254237
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
[(E)-1-chloro-4-phenylbut-3-enyl]benzene
CID 13252853
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile?
The IUPAC name of 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile (CID 121008435) is 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile.
What is the SMILES notation for 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile?
The canonical SMILES for 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile is N#CC(C#N)C/C=C\c1ccccc1.
What is the InChIKey of 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile?
The InChIKey is HFCKOMYXGJXBCV-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H10N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,12H,8H2/b7-4-.
What are the key properties of 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile?
2-[(Z)-3-phenylprop-2-enyl]propanedinitrile has a molecular weight of 182.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-phenylprop-2-enyl]propanedinitrile is sourced from PubChem (CID 121008435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).