(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid

C18H13NO2 — CID 21107835

IUPAC(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
SMILESN#C/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H13NO2/c19-13-16(18(20)21)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,20,21)/b16-11-
InChIKeyMQWLJRRZMYFACR-WJDWOHSUSA-N
MW275.31 g/mol
LogP3.65
Rot. Bonds4

About (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid

(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid (PubChem CID 21107835) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
PubChem CID21107835
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
SMILESN#C/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H13NO2/c19-13-16(18(20)21)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,20,21)/b16-11-
InChIKeyMQWLJRRZMYFACR-WJDWOHSUSA-N
XLogP3.65
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.65
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid?
The IUPAC name of (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid (CID 21107835) is (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid is N#C/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid?
The InChIKey is MQWLJRRZMYFACR-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H13NO2/c19-13-16(18(20)21)11-12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,(H,20,21)/b16-11-.
What are the key properties of (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid?
(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid has a molecular weight of 275.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid is sourced from PubChem (CID 21107835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).