(Z)-3-(2-chlorophenyl)prop-2-enenitrile

C9H6ClN — CID 11205957

IUPAC(Z)-3-(2-chlorophenyl)prop-2-enenitrile
SMILESN#C/C=C\c1ccccc1Cl
InChIInChI=1S/C9H6ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3-
InChIKeyPWWUUGALKZGDSD-HYXAFXHYSA-N
MW163.61 g/mol
LogP2.88
Rot. Bonds1

About (Z)-3-(2-chlorophenyl)prop-2-enenitrile

(Z)-3-(2-chlorophenyl)prop-2-enenitrile (PubChem CID 11205957) has the molecular formula C9H6ClN and a molecular weight of 163.61 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)prop-2-enenitrile
PubChem CID11205957
Molecular FormulaC9H6ClN
Molecular Weight163.61 g/mol
Exact Mass163.02
IUPAC Name(Z)-3-(2-chlorophenyl)prop-2-enenitrile
SMILESN#C/C=C\c1ccccc1Cl
InChIInChI=1S/C9H6ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3-
InChIKeyPWWUUGALKZGDSD-HYXAFXHYSA-N
XLogP2.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548
3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661928
3-(2-iodophenyl)prop-2-enenitrile
CID 5013093
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
3-(2-chloro-6-formylphenyl)prop-2-enenitrile
CID 169483362
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
2-(2-chlorophenyl)ethenamine
CID 154223845
2-[(E)-4-(2-chlorophenyl)but-3-en-2-ylidene]propanedinitrile
CID 139082154
1-chloro-2-(2-phosphorosoethenyl)benzene
CID 175046650
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-chlorophenyl)prop-2-enenitrile (CID 11205957) is (Z)-3-(2-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-chlorophenyl)prop-2-enenitrile is N#C/C=C\c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)prop-2-enenitrile?
The InChIKey is PWWUUGALKZGDSD-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H6ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3-.
What are the key properties of (Z)-3-(2-chlorophenyl)prop-2-enenitrile?
(Z)-3-(2-chlorophenyl)prop-2-enenitrile has a molecular weight of 163.61 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 11205957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).