(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol

C9H18N2O — CID 98100276

IUPAC(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C[C@H]2CCNC2)C1
InChIInChI=1S/C9H18N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h8-10,12H,1-7H2/t8-,9+/m0/s1
InChIKeyKWBXJSCBVYWARV-DTWKUNHWSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds2

About (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 98100276) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol
PubChem CID98100276
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C[C@H]2CCNC2)C1
InChIInChI=1S/C9H18N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h8-10,12H,1-7H2/t8-,9+/m0/s1
InChIKeyKWBXJSCBVYWARV-DTWKUNHWSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol 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 (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol (CID 98100276) is (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol is O[C@@H]1CCN(C[C@H]2CCNC2)C1.
What is the InChIKey of (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is KWBXJSCBVYWARV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h8-10,12H,1-7H2/t8-,9+/m0/s1.
What are the key properties of (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 98100276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).