1-[(2S)-pyrrolidin-2-yl]propan-2-one

C7H13NO — CID 55299747

IUPAC1-[(2S)-pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1
InChIKeyZAJDAGLJUKMNJL-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds2

About 1-[(2S)-pyrrolidin-2-yl]propan-2-one

1-[(2S)-pyrrolidin-2-yl]propan-2-one (PubChem CID 55299747) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S)-pyrrolidin-2-yl]propan-2-one
PubChem CID55299747
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[(2S)-pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1
InChIKeyZAJDAGLJUKMNJL-ZETCQYMHSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-pyrrolidin-2-yl]propan-2-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

Hygrine
CID 440933
1-(1-Methylpyrrolidin-2-yl)acetone
CID 94157
2-Acetylpyrrolidine
CID 550747
1-[(2R)-Pyrrolidin-2-yl]propan-2-one
CID 15250836
1-(Pyrrolidin-2-yl)propan-2-one
CID 45085262
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone
CID 443144
8-Azabicyclo(3.2.1)octan-3-one
CID 434453
1-[(2S)-pyrrolidin-2-yl]propan-1-one
CID 46863477
2-Methylpyrrolidin-3-one
CID 22262513
3-Nortropanone
CID 11309512
1-(1-Methylpyrrolidin-1-ium-2-yl)propan-2-one
CID 25200410
1-(Pyrrolidin-2-yl)propan-1-one
CID 15775374

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S)-pyrrolidin-2-yl]propan-2-one (CID 55299747) is 1-[(2S)-pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S)-pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S)-pyrrolidin-2-yl]propan-2-one is CC(=O)C[C@@H]1CCCN1.
What is the InChIKey of 1-[(2S)-pyrrolidin-2-yl]propan-2-one?
The InChIKey is ZAJDAGLJUKMNJL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidin-2-yl]propan-2-one?
1-[(2S)-pyrrolidin-2-yl]propan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 55299747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).