5-cyano-2-phenylpent-2-enoic acid

C12H11NO2 — CID 174911991

IUPAC5-cyano-2-phenylpent-2-enoic acid
SMILESN#CCCC=C(C(=O)O)c1ccccc1
InChIInChI=1S/C12H11NO2/c13-9-5-4-8-11(12(14)15)10-6-2-1-3-7-10/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyIQYXAZNKXAALRT-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.46
Rot. Bonds4

About 5-cyano-2-phenylpent-2-enoic acid

5-cyano-2-phenylpent-2-enoic acid (PubChem CID 174911991) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-cyano-2-phenylpent-2-enoic acid.

Molecular Properties

Compound Name5-cyano-2-phenylpent-2-enoic acid
PubChem CID174911991
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-cyano-2-phenylpent-2-enoic acid
SMILESN#CCCC=C(C(=O)O)c1ccccc1
InChIInChI=1S/C12H11NO2/c13-9-5-4-8-11(12(14)15)10-6-2-1-3-7-10/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyIQYXAZNKXAALRT-UHFFFAOYSA-N
XLogP2.46
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
2-phenylhexacos-2-enedioic acid
CID 150773917
6-imino-2-phenylhexa-2,5-dienoic acid
CID 173348694
6-methyl-2-phenylhepta-2,5-dienoic acid
CID 67553711
(E)-8-oxo-8-phenyloct-6-enenitrile
CID 11321833
CID 88763605
CID 88763605
4-benzoyl-5-oxo-5-phenylpentanenitrile
CID 25205019
N-(3-cyanopropyl)benzamide
CID 62666234
2-hydroxy-5-phenylhexa-2,4-dienedioic acid
CID 71424281
(E)-4-oxo-2-phenyl-4-sulfanylbut-2-enoic acid
CID 87803476
2-cyanoethyl (E)-3-amino-3-phenylprop-2-enoate
CID 70073168
(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
CID 21107835

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-phenylpent-2-enoic acid?
The IUPAC name of 5-cyano-2-phenylpent-2-enoic acid (CID 174911991) is 5-cyano-2-phenylpent-2-enoic acid.
What is the SMILES notation for 5-cyano-2-phenylpent-2-enoic acid?
The canonical SMILES for 5-cyano-2-phenylpent-2-enoic acid is N#CCCC=C(C(=O)O)c1ccccc1.
What is the InChIKey of 5-cyano-2-phenylpent-2-enoic acid?
The InChIKey is IQYXAZNKXAALRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-9-5-4-8-11(12(14)15)10-6-2-1-3-7-10/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 5-cyano-2-phenylpent-2-enoic acid?
5-cyano-2-phenylpent-2-enoic acid has a molecular weight of 201.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-phenylpent-2-enoic acid is sourced from PubChem (CID 174911991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).