3-ethylpyrrol-2-one

C6H7NO — CID 140974856

IUPAC3-ethylpyrrol-2-one
SMILESCCC1=CC=NC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h3-4H,2H2,1H3
InChIKeyGKOUCXAUIMOHTD-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds1

About 3-ethylpyrrol-2-one

3-ethylpyrrol-2-one (PubChem CID 140974856) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-ethylpyrrol-2-one.

Molecular Properties

Compound Name3-ethylpyrrol-2-one
PubChem CID140974856
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-ethylpyrrol-2-one
SMILESCCC1=CC=NC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h3-4H,2H2,1H3
InChIKeyGKOUCXAUIMOHTD-UHFFFAOYSA-N
XLogP0.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 ≤ 101

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Related Compounds

Methylpyrrolon
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Cyclopenta[d]pyridon
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4-ethylidene-1-oxido-3H-pyrrol-1-ium-5-one
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4-methyl-3H-pyridin-2-one
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3-Ethyl-4-methyl-2H-pyrrol-2-one
CID 20504639
2,3-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 20505168
3-Ethylazepin-2-one
CID 23218762
3H-pyridin-1-ium-4-carboxamide
CID 57095584
3a,4-Dihydropyrrolo[3,4-c]pyridin-1-one
CID 57322095
5-methyl-3H-pyridin-6-one
CID 57604477
1-(2H-pyrrol-3-yl)ethanone
CID 60139528
3-Prop-2-enylpyrrol-2-one
CID 66897497

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrol-2-one?
The IUPAC name of 3-ethylpyrrol-2-one (CID 140974856) is 3-ethylpyrrol-2-one.
What is the SMILES notation for 3-ethylpyrrol-2-one?
The canonical SMILES for 3-ethylpyrrol-2-one is CCC1=CC=NC1=O.
What is the InChIKey of 3-ethylpyrrol-2-one?
The InChIKey is GKOUCXAUIMOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h3-4H,2H2,1H3.
What are the key properties of 3-ethylpyrrol-2-one?
3-ethylpyrrol-2-one has a molecular weight of 109.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrol-2-one is sourced from PubChem (CID 140974856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).