5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol

C13H18N2O — CID 66057355

IUPAC5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CNC(CN2Cc3ccccc3C2)C1
InChIInChI=1S/C13H18N2O/c16-13-5-12(14-6-13)9-15-7-10-3-1-2-4-11(10)8-15/h1-4,12-14,16H,5-9H2
InChIKeyPFWRLWAVUXFDLD-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.73
Rot. Bonds2

About 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol

5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 66057355) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID66057355
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CNC(CN2Cc3ccccc3C2)C1
InChIInChI=1S/C13H18N2O/c16-13-5-12(14-6-13)9-15-7-10-3-1-2-4-11(10)8-15/h1-4,12-14,16H,5-9H2
InChIKeyPFWRLWAVUXFDLD-UHFFFAOYSA-N
XLogP0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1,3-dihydroisoindol-2-ylmethyl)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 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol (CID 66057355) is 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol is OC1CNC(CN2Cc3ccccc3C2)C1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is PFWRLWAVUXFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-5-12(14-6-13)9-15-7-10-3-1-2-4-11(10)8-15/h1-4,12-14,16H,5-9H2.
What are the key properties of 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol?
5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 218.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 66057355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).