2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one

C12H24N2O — CID 81474961

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H24N2O/c1-6-12(15)10(3)14-7-9(2)11(8-14)13(4)5/h9-11H,6-8H2,1-5H3
InChIKeyTYKVIZQGMMDMMG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one (PubChem CID 81474961) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
PubChem CID81474961
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H24N2O/c1-6-12(15)10(3)14-7-9(2)11(8-14)13(4)5/h9-11H,6-8H2,1-5H3
InChIKeyTYKVIZQGMMDMMG-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one (CID 81474961) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one is CCC(=O)C(C)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one?
The InChIKey is TYKVIZQGMMDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-12(15)10(3)14-7-9(2)11(8-14)13(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one is sourced from PubChem (CID 81474961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).