4-phenyl-3-prop-2-enyl-1H-pyridin-2-one

C14H13NO — CID 102271790

IUPAC4-phenyl-3-prop-2-enyl-1H-pyridin-2-one
SMILESC=CCc1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H13NO/c1-2-6-13-12(9-10-15-14(13)16)11-7-4-3-5-8-11/h2-5,7-10H,1,6H2,(H,15,16)
InChIKeyYVPRQXKTWVLEGV-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.77
Rot. Bonds3

About 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one

4-phenyl-3-prop-2-enyl-1H-pyridin-2-one (PubChem CID 102271790) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-phenyl-3-prop-2-enyl-1H-pyridin-2-one
PubChem CID102271790
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-phenyl-3-prop-2-enyl-1H-pyridin-2-one
SMILESC=CCc1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H13NO/c1-2-6-13-12(9-10-15-14(13)16)11-7-4-3-5-8-11/h2-5,7-10H,1,6H2,(H,15,16)
InChIKeyYVPRQXKTWVLEGV-UHFFFAOYSA-N
XLogP2.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one?
The IUPAC name of 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one (CID 102271790) is 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one.
What is the SMILES notation for 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one?
The canonical SMILES for 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one is C=CCc1c(-c2ccccc2)cc[nH]c1=O.
What is the InChIKey of 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one?
The InChIKey is YVPRQXKTWVLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-6-13-12(9-10-15-14(13)16)11-7-4-3-5-8-11/h2-5,7-10H,1,6H2,(H,15,16).
What are the key properties of 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one?
4-phenyl-3-prop-2-enyl-1H-pyridin-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-prop-2-enyl-1H-pyridin-2-one is sourced from PubChem (CID 102271790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).