1-(3-methylpyrrolidin-1-yl)pentan-1-one

C10H19NO — CID 68735226

IUPAC1-(3-methylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC(C)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h9H,3-8H2,1-2H3
InChIKeyRTHURSJHOXZDRL-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds3

About 1-(3-methylpyrrolidin-1-yl)pentan-1-one

1-(3-methylpyrrolidin-1-yl)pentan-1-one (PubChem CID 68735226) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-1-yl)pentan-1-one
PubChem CID68735226
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-methylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC(C)C1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h9H,3-8H2,1-2H3
InChIKeyRTHURSJHOXZDRL-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-methylpyrrolidin-1-yl)pentan-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

4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-(3-methylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107023837
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
CID 102961471
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 1-(3-methylpyrrolidin-1-yl)pentan-1-one (CID 68735226) is 1-(3-methylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(3-methylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(3-methylpyrrolidin-1-yl)pentan-1-one is CCCCC(=O)N1CCC(C)C1.
What is the InChIKey of 1-(3-methylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is RTHURSJHOXZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylpyrrolidin-1-yl)pentan-1-one?
1-(3-methylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 68735226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).