(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol

C12H16N2O — CID 115023582

IUPAC(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1N1Cc2ccccc2C1
InChIInChI=1S/C12H16N2O/c15-12-6-13-5-11(12)14-7-9-3-1-2-4-10(9)8-14/h1-4,11-13,15H,5-8H2/t11-,12-/m0/s1
InChIKeyVNRVQEVSAYNFHD-RYUDHWBXSA-N
MW204.27 g/mol
LogP0.33
Rot. Bonds1

About (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol

(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol (PubChem CID 115023582) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol
PubChem CID115023582
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1N1Cc2ccccc2C1
InChIInChI=1S/C12H16N2O/c15-12-6-13-5-11(12)14-7-9-3-1-2-4-10(9)8-14/h1-4,11-13,15H,5-8H2/t11-,12-/m0/s1
InChIKeyVNRVQEVSAYNFHD-RYUDHWBXSA-N
XLogP0.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-(1,3-dihydroisoindol-2-yl)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

Related Compounds

(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156502217
2-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 166070942
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
CID 87937359
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 62785737
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
2-(4-methylsulfanylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 82760577
4-(4-hydroxypyrrolidin-3-yl)-1,4-diazepan-2-one
CID 65360905
(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 165046428
(1S,2S,4R)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 163856851
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol (CID 115023582) is (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1N1Cc2ccccc2C1.
What is the InChIKey of (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol?
The InChIKey is VNRVQEVSAYNFHD-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-6-13-5-11(12)14-7-9-3-1-2-4-10(9)8-14/h1-4,11-13,15H,5-8H2/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol?
(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol has a molecular weight of 204.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 115023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).