2,4-dimethylpyrrol-3-one

C6H7NO — CID 140979367

IUPAC2,4-dimethylpyrrol-3-one
SMILESCC1=CN=C(C)C1=O
InChIInChI=1S/C6H7NO/c1-4-3-7-5(2)6(4)8/h3H,1-2H3
InChIKeyTVSWZHIIPZPXON-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds

About 2,4-dimethylpyrrol-3-one

2,4-dimethylpyrrol-3-one (PubChem CID 140979367) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2,4-dimethylpyrrol-3-one.

Molecular Properties

Compound Name2,4-dimethylpyrrol-3-one
PubChem CID140979367
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2,4-dimethylpyrrol-3-one
SMILESCC1=CN=C(C)C1=O
InChIInChI=1S/C6H7NO/c1-4-3-7-5(2)6(4)8/h3H,1-2H3
InChIKeyTVSWZHIIPZPXON-UHFFFAOYSA-N
XLogP0.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 58876314
4-methylpyridazine-3,6-dione
CID 45049309
2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
CID 143566359
2,3,4-trimethyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 130278070
4-bromo-2,4,6-trimethylcyclohexa-2,5-dien-1-one
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2,4-dimethylindol-3-one
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrrol-3-one?
The IUPAC name of 2,4-dimethylpyrrol-3-one (CID 140979367) is 2,4-dimethylpyrrol-3-one.
What is the SMILES notation for 2,4-dimethylpyrrol-3-one?
The canonical SMILES for 2,4-dimethylpyrrol-3-one is CC1=CN=C(C)C1=O.
What is the InChIKey of 2,4-dimethylpyrrol-3-one?
The InChIKey is TVSWZHIIPZPXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-4-3-7-5(2)6(4)8/h3H,1-2H3.
What are the key properties of 2,4-dimethylpyrrol-3-one?
2,4-dimethylpyrrol-3-one has a molecular weight of 109.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrol-3-one is sourced from PubChem (CID 140979367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).