4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119674415

IUPAC4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2ccccc12)C1CC(O)CN1
InChIInChI=1S/C15H19N3O2.ClH/c19-11-7-14(18-9-11)15(20)16-6-5-10-8-17-13-4-2-1-3-12(10)13;/h1-4,8,11,14,17-19H,5-7,9H2,(H,16,20);1H
InChIKeyOUCZNWKMEJPQQB-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.97
Rot. Bonds4

About 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119674415) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119674415
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2ccccc12)C1CC(O)CN1
InChIInChI=1S/C15H19N3O2.ClH/c19-11-7-14(18-9-11)15(20)16-6-5-10-8-17-13-4-2-1-3-12(10)13;/h1-4,8,11,14,17-19H,5-7,9H2,(H,16,20);1H
InChIKeyOUCZNWKMEJPQQB-UHFFFAOYSA-N
XLogP0.97
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
CID 75085839
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119674415) is 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1c[nH]c2ccccc12)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is OUCZNWKMEJPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-11-7-14(18-9-11)15(20)16-6-5-10-8-17-13-4-2-1-3-12(10)13;/h1-4,8,11,14,17-19H,5-7,9H2,(H,16,20);1H.
What are the key properties of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).