5,5-dimethylpyrrolidin-3-one;hydrochloride

C6H12ClNO — CID 71757523

IUPAC5,5-dimethylpyrrolidin-3-one;hydrochloride
SMILESCC1(C)CC(=O)CN1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-6(2)3-5(8)4-7-6;/h7H,3-4H2,1-2H3;1H
InChIKeyBQJHXMKWNWPOST-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.75
Rot. Bonds

About 5,5-dimethylpyrrolidin-3-one;hydrochloride

5,5-dimethylpyrrolidin-3-one;hydrochloride (PubChem CID 71757523) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylpyrrolidin-3-one;hydrochloride
PubChem CID71757523
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name5,5-dimethylpyrrolidin-3-one;hydrochloride
SMILESCC1(C)CC(=O)CN1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-6(2)3-5(8)4-7-6;/h7H,3-4H2,1-2H3;1H
InChIKeyBQJHXMKWNWPOST-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethylpyrrolidin-3-one;hydrochloride 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 5,5-dimethylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 5,5-dimethylpyrrolidin-3-one;hydrochloride (CID 71757523) is 5,5-dimethylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 5,5-dimethylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 5,5-dimethylpyrrolidin-3-one;hydrochloride is CC1(C)CC(=O)CN1.Cl.
What is the InChIKey of 5,5-dimethylpyrrolidin-3-one;hydrochloride?
The InChIKey is BQJHXMKWNWPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-6(2)3-5(8)4-7-6;/h7H,3-4H2,1-2H3;1H.
What are the key properties of 5,5-dimethylpyrrolidin-3-one;hydrochloride?
5,5-dimethylpyrrolidin-3-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 71757523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).