3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one

C10H17NO3 — CID 130964424

IUPAC3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one
SMILESCC1(CO)CCN(C2CCOC2=O)C1
InChIInChI=1S/C10H17NO3/c1-10(7-12)3-4-11(6-10)8-2-5-14-9(8)13/h8,12H,2-7H2,1H3
InChIKeySMVDSRLGMRBTME-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.01
Rot. Bonds2

About 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one

3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one (PubChem CID 130964424) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one
PubChem CID130964424
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one
SMILESCC1(CO)CCN(C2CCOC2=O)C1
InChIInChI=1S/C10H17NO3/c1-10(7-12)3-4-11(6-10)8-2-5-14-9(8)13/h8,12H,2-7H2,1H3
InChIKeySMVDSRLGMRBTME-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-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-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one (CID 130964424) is 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one is CC1(CO)CCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one?
The InChIKey is SMVDSRLGMRBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(7-12)3-4-11(6-10)8-2-5-14-9(8)13/h8,12H,2-7H2,1H3.
What are the key properties of 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one?
3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 130964424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).