1-(3-acetylpyrrolidin-1-yl)propan-1-one

C9H15NO2 — CID 142004070

IUPAC1-(3-acetylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C9H15NO2/c1-3-9(12)10-5-4-8(6-10)7(2)11/h8H,3-6H2,1-2H3
InChIKeyKTSXADAEEZLJKJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds2

About 1-(3-acetylpyrrolidin-1-yl)propan-1-one

1-(3-acetylpyrrolidin-1-yl)propan-1-one (PubChem CID 142004070) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-acetylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-acetylpyrrolidin-1-yl)propan-1-one
PubChem CID142004070
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-acetylpyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C9H15NO2/c1-3-9(12)10-5-4-8(6-10)7(2)11/h8H,3-6H2,1-2H3
InChIKeyKTSXADAEEZLJKJ-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-acetylpyrrolidin-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-Methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 11095529
tert-Butyl 3-acetylpyrrolidine-1-carboxylate
CID 25257021
3-Acetyl-1-ethenylpyrrolidin-2-one
CID 12119980
3-Acetyl-1-methylpyrrolidine-2,4-dione
CID 15088154
tert-Butyl (3R)-3-acetylpyrrolidine-1-carboxylate
CID 57741752
tert-Butyl (3S)-3-acetylpyrrolidine-1-carboxylate
CID 68071565
1-(1-Propyl-3-pyrrolidinyl)ethanone
CID 24972218
3-Acetyl-1-methylpyrrolidin-2-one
CID 15084248
Diethyl-2-pyrrolidinone
CID 58939186
1-Pentyl-pyrrolidinedione
CID 61549040
1-(4-Oxopentyl)pyrrolidin-2-one
CID 62018273

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-acetylpyrrolidin-1-yl)propan-1-one (CID 142004070) is 1-(3-acetylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-acetylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-acetylpyrrolidin-1-yl)propan-1-one is CCC(=O)N1CCC(C(C)=O)C1.
What is the InChIKey of 1-(3-acetylpyrrolidin-1-yl)propan-1-one?
The InChIKey is KTSXADAEEZLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(12)10-5-4-8(6-10)7(2)11/h8H,3-6H2,1-2H3.
What are the key properties of 1-(3-acetylpyrrolidin-1-yl)propan-1-one?
1-(3-acetylpyrrolidin-1-yl)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 142004070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).