1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one

C11H19NO2 — CID 66559743

IUPAC1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CC[C@@H](CC(C)=O)N1C
InChIInChI=1S/C11H19NO2/c1-8(13)6-10-4-5-11(12(10)3)7-9(2)14/h10-11H,4-7H2,1-3H3/t10-,11+
InChIKeyJIAAQKAOFZRDCM-PHIMTYICSA-N
MW197.28 g/mol
LogP1.41
Rot. Bonds4

About 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one

1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 66559743) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one
PubChem CID66559743
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CC[C@@H](CC(C)=O)N1C
InChIInChI=1S/C11H19NO2/c1-8(13)6-10-4-5-11(12(10)3)7-9(2)14/h10-11H,4-7H2,1-3H3/t10-,11+
InChIKeyJIAAQKAOFZRDCM-PHIMTYICSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)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-Methylpiperidin-2-yl)propan-2-one
CID 86786
Cuskhygrine
CID 441070
Phygrine
CID 10265686
1-(1-Methylpyrrolidin-2-yl)acetone
CID 94157
Cuscohygrine
CID 1201543
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone
CID 443144
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
CID 11816962
1-[(2S)-1-methylpiperidin-2-yl]propan-2-one
CID 820378
N-Methylpelletierine
CID 1548928
8-Propyl-8-azabicyclo[3.2.1]octan-3-one
CID 23383579
1-[(2R)-1-methylpiperidin-2-yl]pentan-2-one
CID 163026739

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one (CID 66559743) is 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one is CC(=O)C[C@H]1CC[C@@H](CC(C)=O)N1C.
What is the InChIKey of 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is JIAAQKAOFZRDCM-PHIMTYICSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)6-10-4-5-11(12(10)3)7-9(2)14/h10-11H,4-7H2,1-3H3/t10-,11+.
What are the key properties of 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one?
1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 66559743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).