4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide

C13H15N3O2 — CID 61250261

IUPAC4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CC(O)CN1
InChIInChI=1S/C13H15N3O2/c17-10-6-12(15-7-10)13(18)16-9-1-2-11-8(5-9)3-4-14-11/h1-5,10,12,14-15,17H,6-7H2,(H,16,18)
InChIKeyTTWGFGKRGRXUDR-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.83
Rot. Bonds2

About 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 61250261) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
PubChem CID61250261
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CC(O)CN1
InChIInChI=1S/C13H15N3O2/c17-10-6-12(15-7-10)13(18)16-9-1-2-11-8(5-9)3-4-14-11/h1-5,10,12,14-15,17H,6-7H2,(H,16,18)
InChIKeyTTWGFGKRGRXUDR-UHFFFAOYSA-N
XLogP0.83
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119702704
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
2-bromo-5-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 115296411
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-(1H-indol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892360

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide (CID 61250261) is 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is TTWGFGKRGRXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-6-12(15-7-10)13(18)16-9-1-2-11-8(5-9)3-4-14-11/h1-5,10,12,14-15,17H,6-7H2,(H,16,18).
What are the key properties of 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61250261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).