3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one

C16H14N2O — CID 67143048

IUPAC3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one
SMILESO=C1NCCC1=Cc1ccccc1-c1ccncc1
InChIInChI=1S/C16H14N2O/c19-16-14(7-10-18-16)11-13-3-1-2-4-15(13)12-5-8-17-9-6-12/h1-6,8-9,11H,7,10H2,(H,18,19)
InChIKeyDHNPBRGINJRMBR-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.65
Rot. Bonds2

About 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one

3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one (PubChem CID 67143048) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one
PubChem CID67143048
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one
SMILESO=C1NCCC1=Cc1ccccc1-c1ccncc1
InChIInChI=1S/C16H14N2O/c19-16-14(7-10-18-16)11-13-3-1-2-4-15(13)12-5-8-17-9-6-12/h1-6,8-9,11H,7,10H2,(H,18,19)
InChIKeyDHNPBRGINJRMBR-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one?
The IUPAC name of 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one (CID 67143048) is 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one is O=C1NCCC1=Cc1ccccc1-c1ccncc1.
What is the InChIKey of 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one?
The InChIKey is DHNPBRGINJRMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-14(7-10-18-16)11-13-3-1-2-4-15(13)12-5-8-17-9-6-12/h1-6,8-9,11H,7,10H2,(H,18,19).
What are the key properties of 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one?
3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-4-ylphenyl)methylidene]pyrrolidin-2-one is sourced from PubChem (CID 67143048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).