4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one

C20H40N2O3 — CID 157446430

IUPAC4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(O)CCC1CC(C)(C)NC1=O.CC(O)CCC1CNC(C)(C)C1
InChIInChI=1S/C10H19NO2.C10H21NO/c1-7(12)4-5-8-6-10(2,3)11-9(8)13;1-8(12)4-5-9-6-10(2,3)11-7-9/h7-8,12H,4-6H2,1-3H3,(H,11,13);8-9,11-12H,4-7H2,1-3H3
InChIKeyBSGWAGJNRQRCML-UHFFFAOYSA-N
MW356.55 g/mol
LogP2.60
Rot. Bonds6

About 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one

4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 157446430) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID157446430
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(O)CCC1CC(C)(C)NC1=O.CC(O)CCC1CNC(C)(C)C1
InChIInChI=1S/C10H19NO2.C10H21NO/c1-7(12)4-5-8-6-10(2,3)11-9(8)13;1-8(12)4-5-9-6-10(2,3)11-7-9/h7-8,12H,4-6H2,1-3H3,(H,11,13);8-9,11-12H,4-7H2,1-3H3
InChIKeyBSGWAGJNRQRCML-UHFFFAOYSA-N
XLogP2.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one (CID 157446430) is 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one is CC(O)CCC1CC(C)(C)NC1=O.CC(O)CCC1CNC(C)(C)C1.
What is the InChIKey of 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is BSGWAGJNRQRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C10H21NO/c1-7(12)4-5-8-6-10(2,3)11-9(8)13;1-8(12)4-5-9-6-10(2,3)11-7-9/h7-8,12H,4-6H2,1-3H3,(H,11,13);8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 356.55 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylpyrrolidin-3-yl)butan-2-ol;3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 157446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).