(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone

C13H14N2O3 — CID 106671264

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O3/c16-10-6-15(7-11(10)17)13(18)9-3-1-2-8-4-5-14-12(8)9/h1-5,10-11,14,16-17H,6-7H2
InChIKeyPYQAJCBWURYMRQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.35
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone (PubChem CID 106671264) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
PubChem CID106671264
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O3/c16-10-6-15(7-11(10)17)13(18)9-3-1-2-8-4-5-14-12(8)9/h1-5,10-11,14,16-17H,6-7H2
InChIKeyPYQAJCBWURYMRQ-UHFFFAOYSA-N
XLogP0.35
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone 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

1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
(1S,5R)-3-(1H-indole-7-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135088902
(1S,5R)-7-(1H-indole-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155507493
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947
1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
CID 124592372

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone (CID 106671264) is (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone?
The InChIKey is PYQAJCBWURYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-10-6-15(7-11(10)17)13(18)9-3-1-2-8-4-5-14-12(8)9/h1-5,10-11,14,16-17H,6-7H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone is sourced from PubChem (CID 106671264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).