1-(3,3-dimethylbutyl)pyrrolidin-3-one

C10H19NO — CID 18768940

IUPAC1-(3,3-dimethylbutyl)pyrrolidin-3-one
SMILESCC(C)(C)CCN1CCC(=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h4-8H2,1-3H3
InChIKeyIQEHJIARYVEOQV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 1-(3,3-dimethylbutyl)pyrrolidin-3-one

1-(3,3-dimethylbutyl)pyrrolidin-3-one (PubChem CID 18768940) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)pyrrolidin-3-one
PubChem CID18768940
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3,3-dimethylbutyl)pyrrolidin-3-one
SMILESCC(C)(C)CCN1CCC(=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h4-8H2,1-3H3
InChIKeyIQEHJIARYVEOQV-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutyl)pyrrolidin-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 1-(3,3-dimethylbutyl)pyrrolidin-3-one?
The IUPAC name of 1-(3,3-dimethylbutyl)pyrrolidin-3-one (CID 18768940) is 1-(3,3-dimethylbutyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3,3-dimethylbutyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3,3-dimethylbutyl)pyrrolidin-3-one is CC(C)(C)CCN1CCC(=O)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)pyrrolidin-3-one?
The InChIKey is IQEHJIARYVEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)5-7-11-6-4-9(12)8-11/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)pyrrolidin-3-one?
1-(3,3-dimethylbutyl)pyrrolidin-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)pyrrolidin-3-one is sourced from PubChem (CID 18768940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).