2-ethylpyrrol-3-one

C6H7NO — CID 122663844

IUPAC2-ethylpyrrol-3-one
SMILESCCC1=NC=CC1=O
InChIInChI=1S/C6H7NO/c1-2-5-6(8)3-4-7-5/h3-4H,2H2,1H3
InChIKeyWWCZTFKYFZHSOO-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds1

About 2-ethylpyrrol-3-one

2-ethylpyrrol-3-one (PubChem CID 122663844) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-ethylpyrrol-3-one.

Molecular Properties

Compound Name2-ethylpyrrol-3-one
PubChem CID122663844
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-ethylpyrrol-3-one
SMILESCCC1=NC=CC1=O
InChIInChI=1S/C6H7NO/c1-2-5-6(8)3-4-7-5/h3-4H,2H2,1H3
InChIKeyWWCZTFKYFZHSOO-UHFFFAOYSA-N
XLogP0.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrrol-3-one?
The IUPAC name of 2-ethylpyrrol-3-one (CID 122663844) is 2-ethylpyrrol-3-one.
What is the SMILES notation for 2-ethylpyrrol-3-one?
The canonical SMILES for 2-ethylpyrrol-3-one is CCC1=NC=CC1=O.
What is the InChIKey of 2-ethylpyrrol-3-one?
The InChIKey is WWCZTFKYFZHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5-6(8)3-4-7-5/h3-4H,2H2,1H3.
What are the key properties of 2-ethylpyrrol-3-one?
2-ethylpyrrol-3-one has a molecular weight of 109.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrrol-3-one is sourced from PubChem (CID 122663844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).