(Z)-2-cyano-4-phenylpent-2-enoic acid

C12H11NO2 — CID 107293057

IUPAC(Z)-2-cyano-4-phenylpent-2-enoic acid
SMILESCC(/C=C(/C#N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H,14,15)/b11-7-
InChIKeyJPCKWGGMFGHXOI-XFFZJAGNSA-N
MW201.22 g/mol
LogP2.32
Rot. Bonds3

About (Z)-2-cyano-4-phenylpent-2-enoic acid

(Z)-2-cyano-4-phenylpent-2-enoic acid (PubChem CID 107293057) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (Z)-2-cyano-4-phenylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-cyano-4-phenylpent-2-enoic acid
PubChem CID107293057
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(Z)-2-cyano-4-phenylpent-2-enoic acid
SMILESCC(/C=C(/C#N)C(=O)O)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H,14,15)/b11-7-
InChIKeyJPCKWGGMFGHXOI-XFFZJAGNSA-N
XLogP2.32
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-4-phenylpent-2-enamide
CID 3282081
2-(dimethylamino)-4-phenylpent-2-enenitrile
CID 131855342
(E)-4-phenyl-2-(3-phenylpyrrolidine-1-carbonyl)pent-2-enenitrile
CID 154587140
(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 2461727
2-cyano-4-methyl-5-phenylpenta-2,4-dienoic acid
CID 78648562
(Z)-N-benzhydryl-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enamide
CID 108840497
(E)-4-methyl-6-phenylhept-4-en-2-one
CID 10241959
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(E,4R)-2-[(3R)-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine-1-carbonyl]-4-phenylpent-2-enenitrile
CID 154968389
(E)-4-(4-chlorophenyl)-2-(3-phenylpyrrolidine-1-carbonyl)pent-2-enenitrile
CID 147489700
(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
CID 21107835

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-4-phenylpent-2-enoic acid?
The IUPAC name of (Z)-2-cyano-4-phenylpent-2-enoic acid (CID 107293057) is (Z)-2-cyano-4-phenylpent-2-enoic acid.
What is the SMILES notation for (Z)-2-cyano-4-phenylpent-2-enoic acid?
The canonical SMILES for (Z)-2-cyano-4-phenylpent-2-enoic acid is CC(/C=C(/C#N)C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-4-phenylpent-2-enoic acid?
The InChIKey is JPCKWGGMFGHXOI-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H,14,15)/b11-7-.
What are the key properties of (Z)-2-cyano-4-phenylpent-2-enoic acid?
(Z)-2-cyano-4-phenylpent-2-enoic acid has a molecular weight of 201.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-4-phenylpent-2-enoic acid is sourced from PubChem (CID 107293057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).