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

C6H9NO — CID 89036184

IUPAC2,5-dimethyl-1,2-dihydropyrrol-3-one
SMILESCC1=CC(=O)C(C)N1
InChIInChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3,5,7H,1-2H3
InChIKeyUIAMEHIHFTVWAU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

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

2,5-dimethyl-1,2-dihydropyrrol-3-one (PubChem CID 89036184) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,5-dimethyl-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-1,2-dihydropyrrol-3-one
PubChem CID89036184
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,5-dimethyl-1,2-dihydropyrrol-3-one
SMILESCC1=CC(=O)C(C)N1
InChIInChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3,5,7H,1-2H3
InChIKeyUIAMEHIHFTVWAU-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

2-Acetyl-1,4,5,6-tetrahydropyridine
CID 520194
2-Propionyl-1,4,5,6-tetrahydropyridine
CID 522742
2-Acetylpyrroline
CID 6429016
(3Z)-4-[(propan-2-yl)amino]pent-3-en-2-one
CID 11275054
4-Ethylaminopent-3-EN-2-one
CID 11804773
(Z)-4-Propylamino-pent-3-en-2-one
CID 12609387
4-Oxo-6-methyl-1,2,3,4-tetrahydropyridine
CID 12291208
(Z)-4-(propan-2-ylamino)hex-3-en-2-one
CID 101623645
2-Acetyl-3-pyrroline
CID 12988591
4-Hepten-3-one, 5-(methylamino)-, (4Z)-
CID 55298779
2-Propanoylpyrroline
CID 55299831
5-(Methylamino)-4-hepten-3-one
CID 76225178

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2-dihydropyrrol-3-one?
The IUPAC name of 2,5-dimethyl-1,2-dihydropyrrol-3-one (CID 89036184) is 2,5-dimethyl-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 2,5-dimethyl-1,2-dihydropyrrol-3-one?
The canonical SMILES for 2,5-dimethyl-1,2-dihydropyrrol-3-one is CC1=CC(=O)C(C)N1.
What is the InChIKey of 2,5-dimethyl-1,2-dihydropyrrol-3-one?
The InChIKey is UIAMEHIHFTVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3,5,7H,1-2H3.
What are the key properties of 2,5-dimethyl-1,2-dihydropyrrol-3-one?
2,5-dimethyl-1,2-dihydropyrrol-3-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 89036184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).