3-ethyl-4-methyl-1,2-dihydropyrrol-5-one

C7H11NO — CID 5325838

IUPAC3-ethyl-4-methyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(=O)NC1
InChIInChI=1S/C7H11NO/c1-3-6-4-8-7(9)5(6)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyONWVNPNVIDSBDZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one

3-ethyl-4-methyl-1,2-dihydropyrrol-5-one (PubChem CID 5325838) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-1,2-dihydropyrrol-5-one
PubChem CID5325838
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethyl-4-methyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(=O)NC1
InChIInChI=1S/C7H11NO/c1-3-6-4-8-7(9)5(6)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyONWVNPNVIDSBDZ-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dihydro-3-ethyl-4-methyl-2H-pyrrol-2-one
CID 854146
3,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-one
CID 574037
3,4-Diethyl-1,5-dihydro-2H-pyrrol-2-one
CID 13867362
4-Methyl-1,2,5,6-tetrahydropyridin-2-one
CID 11320921
4-Ethyl-3-pyrrolin-2-on
CID 14121451
3-Acetyl-4-methyl-1H-pyrrol-2(5H)-one
CID 45085571
(Z)-3-fluoro-N,2-dimethylpent-2-enamide
CID 143662601
3-Propan-2-ylidenepyrrolidin-2-one
CID 10749180
2,3,4-Trimethyl-1,2-dihydropyrrol-5-one
CID 13794991
4-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 14729909
3,4-Dimethyl-5,6-dihydropyridin-2(1H)-one
CID 45092779
4-Ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one
CID 55286077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one (CID 5325838) is 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one is CCC1=C(C)C(=O)NC1.
What is the InChIKey of 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is ONWVNPNVIDSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-4-8-7(9)5(6)2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one?
3-ethyl-4-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 5325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).