(Z)-2-phenylhex-2-enenitrile

C12H13N — CID 5463415

IUPAC(Z)-2-phenylhex-2-enenitrile
SMILESCCC/C=C(\C#N)c1ccccc1
InChIInChI=1S/C12H13N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/b12-7+
InChIKeyUYBGOPSMJQAVEH-KPKJPENVSA-N
MW171.24 g/mol
LogP3.39
Rot. Bonds3

About (Z)-2-phenylhex-2-enenitrile

(Z)-2-phenylhex-2-enenitrile (PubChem CID 5463415) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-2-phenylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenylhex-2-enenitrile
PubChem CID5463415
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(Z)-2-phenylhex-2-enenitrile
SMILESCCC/C=C(\C#N)c1ccccc1
InChIInChI=1S/C12H13N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/b12-7+
InChIKeyUYBGOPSMJQAVEH-KPKJPENVSA-N
XLogP3.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.39
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)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
CID 14221080
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
2-phenylhex-2-enal
CID 3023641
2,5-diphenylhex-2-enedinitrile
CID 67423079
4-oxo-2-phenylpent-2-enenitrile
CID 91279412
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
4-(1-phenylpent-1-enyl)phenol
CID 57219514
(E)-2-[3-[(Z)-3-cyano-3-phenylprop-2-enyl]phenyl]-3-methylbut-2-enedinitrile
CID 154933396
N-(2-cyano-2-phenylethenyl)benzamide
CID 570201
hex-3-en-1-yn-3-ylbenzene
CID 144766057
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenylhex-2-enenitrile?
The IUPAC name of (Z)-2-phenylhex-2-enenitrile (CID 5463415) is (Z)-2-phenylhex-2-enenitrile.
What is the SMILES notation for (Z)-2-phenylhex-2-enenitrile?
The canonical SMILES for (Z)-2-phenylhex-2-enenitrile is CCC/C=C(\C#N)c1ccccc1.
What is the InChIKey of (Z)-2-phenylhex-2-enenitrile?
The InChIKey is UYBGOPSMJQAVEH-KPKJPENVSA-N. The full InChI is InChI=1S/C12H13N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/b12-7+.
What are the key properties of (Z)-2-phenylhex-2-enenitrile?
(Z)-2-phenylhex-2-enenitrile has a molecular weight of 171.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenylhex-2-enenitrile is sourced from PubChem (CID 5463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).