(Z)-4-methyl-3-phenylpent-2-enenitrile

C12H13N — CID 23262622

IUPAC(Z)-4-methyl-3-phenylpent-2-enenitrile
SMILESCC(C)/C(=C/C#N)c1ccccc1
InChIInChI=1S/C12H13N/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8-
InChIKeyIFTIHBKONSSJMA-WQLSENKSSA-N
MW171.24 g/mol
LogP3.25
Rot. Bonds2

About (Z)-4-methyl-3-phenylpent-2-enenitrile

(Z)-4-methyl-3-phenylpent-2-enenitrile (PubChem CID 23262622) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-4-methyl-3-phenylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-methyl-3-phenylpent-2-enenitrile
PubChem CID23262622
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(Z)-4-methyl-3-phenylpent-2-enenitrile
SMILESCC(C)/C(=C/C#N)c1ccccc1
InChIInChI=1S/C12H13N/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8-
InChIKeyIFTIHBKONSSJMA-WQLSENKSSA-N
XLogP3.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.25
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-methyl-3-phenylpent-2-enenitrile
CID 13354635
(E)-4-methyl-3-(4-methylphenyl)pent-2-enenitrile
CID 177228178
(Z)-3-phenyl-3-propan-2-ylsulfanylprop-2-enenitrile
CID 168744985
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
4-methyl-3-phenylpent-2-enal
CID 86256900
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
CID 13159605
lithium [(E)-2-cyano-1-phenylethenyl]azanide
CID 101430283
(3-methyl-1-nitrobut-1-en-2-yl)benzene
CID 67236691
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-phenylpent-2-enenitrile?
The IUPAC name of (Z)-4-methyl-3-phenylpent-2-enenitrile (CID 23262622) is (Z)-4-methyl-3-phenylpent-2-enenitrile.
What is the SMILES notation for (Z)-4-methyl-3-phenylpent-2-enenitrile?
The canonical SMILES for (Z)-4-methyl-3-phenylpent-2-enenitrile is CC(C)/C(=C/C#N)c1ccccc1.
What is the InChIKey of (Z)-4-methyl-3-phenylpent-2-enenitrile?
The InChIKey is IFTIHBKONSSJMA-WQLSENKSSA-N. The full InChI is InChI=1S/C12H13N/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8-.
What are the key properties of (Z)-4-methyl-3-phenylpent-2-enenitrile?
(Z)-4-methyl-3-phenylpent-2-enenitrile has a molecular weight of 171.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-phenylpent-2-enenitrile is sourced from PubChem (CID 23262622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).