[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C12H22N2O2 — CID 121202723

IUPAC[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CC1CO
InChIInChI=1S/C12H22N2O2/c1-12(2)8-14(6-10(12)7-15)11(16)9-3-4-13-5-9/h9-10,13,15H,3-8H2,1-2H3
InChIKeyODAWXJXXNCAJSQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.07
Rot. Bonds2

About [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 121202723) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID121202723
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CC1CO
InChIInChI=1S/C12H22N2O2/c1-12(2)8-14(6-10(12)7-15)11(16)9-3-4-13-5-9/h9-10,13,15H,3-8H2,1-2H3
InChIKeyODAWXJXXNCAJSQ-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone 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-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 121202723) is [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is CC1(C)CN(C(=O)C2CCNC2)CC1CO.
What is the InChIKey of [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is ODAWXJXXNCAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)8-14(6-10(12)7-15)11(16)9-3-4-13-5-9/h9-10,13,15H,3-8H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 121202723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).