(Z)-3-cyano-2-phenylprop-2-enoic acid

C10H7NO2 — CID 18415171

IUPAC(Z)-3-cyano-2-phenylprop-2-enoic acid
SMILESN#C/C=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C10H7NO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6-
InChIKeyRRWSCYULIDBTSN-TWGQIWQCSA-N
MW173.17 g/mol
LogP1.68
Rot. Bonds2

About (Z)-3-cyano-2-phenylprop-2-enoic acid

(Z)-3-cyano-2-phenylprop-2-enoic acid (PubChem CID 18415171) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is (Z)-3-cyano-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyano-2-phenylprop-2-enoic acid
PubChem CID18415171
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name(Z)-3-cyano-2-phenylprop-2-enoic acid
SMILESN#C/C=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C10H7NO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6-
InChIKeyRRWSCYULIDBTSN-TWGQIWQCSA-N
XLogP1.68
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.68
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

benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
lithium [(E)-2-cyano-1-phenylethenyl]azanide
CID 101430283
(Z)-4-(methylamino)-4-oxo-2-phenylbut-2-enoic acid;(E)-4-(methylamino)-4-oxo-2-phenylbut-2-enoic acid
CID 44889659
5-cyano-2-phenylpent-2-enoic acid
CID 174911991
Lithium benzoate, 99%
CID 57451198
benzoic acid;trihydrate
CID 157398339
4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid
CID 1484331
(E)-4-oxo-2-phenyl-4-sulfanylbut-2-enoic acid
CID 87803476
2-hydroxy-5-phenylhexa-2,4-dienedioic acid
CID 71424281
(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
CID 13159605
3-cyano-2-(2,5-dihydroxyphenyl)prop-2-enoic acid
CID 67680625
acetonitrile;benzoic acid;ethane
CID 143448416

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyano-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-cyano-2-phenylprop-2-enoic acid (CID 18415171) is (Z)-3-cyano-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyano-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-cyano-2-phenylprop-2-enoic acid is N#C/C=C(\C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-3-cyano-2-phenylprop-2-enoic acid?
The InChIKey is RRWSCYULIDBTSN-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H7NO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6-.
What are the key properties of (Z)-3-cyano-2-phenylprop-2-enoic acid?
(Z)-3-cyano-2-phenylprop-2-enoic acid has a molecular weight of 173.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyano-2-phenylprop-2-enoic acid is sourced from PubChem (CID 18415171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).