5-methylidene-4-phenylpyrrol-2-one

C11H9NO — CID 16663238

IUPAC5-methylidene-4-phenylpyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccccc1
InChIInChI=1S/C11H9NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7H,1H2,(H,12,13)
InChIKeyPKUIULORVYDFJP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.71
Rot. Bonds1

About 5-methylidene-4-phenylpyrrol-2-one

5-methylidene-4-phenylpyrrol-2-one (PubChem CID 16663238) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methylidene-4-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-methylidene-4-phenylpyrrol-2-one
PubChem CID16663238
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5-methylidene-4-phenylpyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccccc1
InChIInChI=1S/C11H9NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7H,1H2,(H,12,13)
InChIKeyPKUIULORVYDFJP-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-phenylpyrrol-2-one?
The IUPAC name of 5-methylidene-4-phenylpyrrol-2-one (CID 16663238) is 5-methylidene-4-phenylpyrrol-2-one.
What is the SMILES notation for 5-methylidene-4-phenylpyrrol-2-one?
The canonical SMILES for 5-methylidene-4-phenylpyrrol-2-one is C=C1NC(=O)C=C1c1ccccc1.
What is the InChIKey of 5-methylidene-4-phenylpyrrol-2-one?
The InChIKey is PKUIULORVYDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-7H,1H2,(H,12,13).
What are the key properties of 5-methylidene-4-phenylpyrrol-2-one?
5-methylidene-4-phenylpyrrol-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-phenylpyrrol-2-one is sourced from PubChem (CID 16663238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).