4-methylpyrrol-2-one

C5H5NO — CID 20504634

IUPAC4-methylpyrrol-2-one
SMILESCC1=CC(=O)N=C1
InChIInChI=1S/C5H5NO/c1-4-2-5(7)6-3-4/h2-3H,1H3
InChIKeyXUUYAAAYPXHVGP-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.54
Rot. Bonds

About 4-methylpyrrol-2-one

4-methylpyrrol-2-one (PubChem CID 20504634) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 4-methylpyrrol-2-one.

Molecular Properties

Compound Name4-methylpyrrol-2-one
PubChem CID20504634
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name4-methylpyrrol-2-one
SMILESCC1=CC(=O)N=C1
InChIInChI=1S/C5H5NO/c1-4-2-5(7)6-3-4/h2-3H,1H3
InChIKeyXUUYAAAYPXHVGP-UHFFFAOYSA-N
XLogP0.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrol-2-one?
The IUPAC name of 4-methylpyrrol-2-one (CID 20504634) is 4-methylpyrrol-2-one.
What is the SMILES notation for 4-methylpyrrol-2-one?
The canonical SMILES for 4-methylpyrrol-2-one is CC1=CC(=O)N=C1.
What is the InChIKey of 4-methylpyrrol-2-one?
The InChIKey is XUUYAAAYPXHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c1-4-2-5(7)6-3-4/h2-3H,1H3.
What are the key properties of 4-methylpyrrol-2-one?
4-methylpyrrol-2-one has a molecular weight of 95.10 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrol-2-one is sourced from PubChem (CID 20504634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).