1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone

C6H9NO — CID 522834

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
SMILESCC(=O)C1=NCCC1
InChIInChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChIKeyDQBQWWSFRPLIAX-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone

1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone (PubChem CID 522834) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
PubChem CID522834
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
SMILESCC(=O)C1=NCCC1
InChIInChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChIKeyDQBQWWSFRPLIAX-UHFFFAOYSA-N
XLogP0.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone (CID 522834) is 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone is CC(=O)C1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The InChIKey is DQBQWWSFRPLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone?
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone has a molecular weight of 111.14 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone is sourced from PubChem (CID 522834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).