3,4-dimethyl-1,2-dihydropyrrol-5-one

C6H9NO — CID 574037

IUPAC3,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(C)C(=O)NC1
InChIInChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3H2,1-2H3,(H,7,8)
InChIKeyAYGIBSZRMXDJEG-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

About 3,4-dimethyl-1,2-dihydropyrrol-5-one

3,4-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 574037) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3,4-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3,4-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID574037
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(C)C(=O)NC1
InChIInChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3H2,1-2H3,(H,7,8)
InChIKeyAYGIBSZRMXDJEG-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3,4-dimethyl-1,2-dihydropyrrol-5-one (CID 574037) is 3,4-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3,4-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3,4-dimethyl-1,2-dihydropyrrol-5-one is CC1=C(C)C(=O)NC1.
What is the InChIKey of 3,4-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is AYGIBSZRMXDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3H2,1-2H3,(H,7,8).
What are the key properties of 3,4-dimethyl-1,2-dihydropyrrol-5-one?
3,4-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 574037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).