3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one

C10H18N2O2 — CID 164654231

IUPAC3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1(CN2CCC(O)C2)CCNC1=O
InChIInChI=1S/C10H18N2O2/c1-10(3-4-11-9(10)14)7-12-5-2-8(13)6-12/h8,13H,2-7H2,1H3,(H,11,14)
InChIKeyQQAAAXHYFKZLGQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds2

About 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one

3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 164654231) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one
PubChem CID164654231
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1(CN2CCC(O)C2)CCNC1=O
InChIInChI=1S/C10H18N2O2/c1-10(3-4-11-9(10)14)7-12-5-2-8(13)6-12/h8,13H,2-7H2,1H3,(H,11,14)
InChIKeyQQAAAXHYFKZLGQ-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-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 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one (CID 164654231) is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one is CC1(CN2CCC(O)C2)CCNC1=O.
What is the InChIKey of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is QQAAAXHYFKZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(3-4-11-9(10)14)7-12-5-2-8(13)6-12/h8,13H,2-7H2,1H3,(H,11,14).
What are the key properties of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one?
3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 164654231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).