3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one

C13H24N2O — CID 62275584

IUPAC3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C13H24N2O/c1-10(2)9-13(16)15-8-4-6-12(15)11-5-3-7-14-11/h10-12,14H,3-9H2,1-2H3
InChIKeyLATHAKXQZHGHJG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one

3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 62275584) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
PubChem CID62275584
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C13H24N2O/c1-10(2)9-13(16)15-8-4-6-12(15)11-5-3-7-14-11/h10-12,14H,3-9H2,1-2H3
InChIKeyLATHAKXQZHGHJG-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-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

2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 103164909
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62274232
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 114018492
2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 55213742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one (CID 62275584) is 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one is CC(C)CC(=O)N1CCCC1C1CCCN1.
What is the InChIKey of 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is LATHAKXQZHGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)9-13(16)15-8-4-6-12(15)11-5-3-7-14-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 62275584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).