3-methyl-4-pentan-3-ylpyrrolidin-2-one

C10H19NO — CID 130855793

IUPAC3-methyl-4-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)C1CNC(=O)C1C
InChIInChI=1S/C10H19NO/c1-4-8(5-2)9-6-11-10(12)7(9)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyALBJQCSWDNBCHP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.80
Rot. Bonds3

About 3-methyl-4-pentan-3-ylpyrrolidin-2-one

3-methyl-4-pentan-3-ylpyrrolidin-2-one (PubChem CID 130855793) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-4-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-pentan-3-ylpyrrolidin-2-one
PubChem CID130855793
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-4-pentan-3-ylpyrrolidin-2-one
SMILESCCC(CC)C1CNC(=O)C1C
InChIInChI=1S/C10H19NO/c1-4-8(5-2)9-6-11-10(12)7(9)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyALBJQCSWDNBCHP-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-pentan-3-ylpyrrolidin-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

4-(1-methoxyethyl)-3-methylpyrrolidin-2-one
CID 131059717
(3S,4R)-3-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 89476528
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 59706724
4-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 63940760
3-azabicyclo[3.1.1]heptan-2-one
CID 73425066
trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
CID 94397810
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 22298238
5-(1,1-difluoropropyl)-3-methylpiperidin-2-one
CID 178159653
4-pentan-3-ylpyrrolidin-3-amine
CID 165454169
3-(ethylamino)azetidin-2-one
CID 123769007
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 3-methyl-4-pentan-3-ylpyrrolidin-2-one (CID 130855793) is 3-methyl-4-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-methyl-4-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-methyl-4-pentan-3-ylpyrrolidin-2-one is CCC(CC)C1CNC(=O)C1C.
What is the InChIKey of 3-methyl-4-pentan-3-ylpyrrolidin-2-one?
The InChIKey is ALBJQCSWDNBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(5-2)9-6-11-10(12)7(9)3/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-4-pentan-3-ylpyrrolidin-2-one?
3-methyl-4-pentan-3-ylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 130855793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).