2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

C16H22ClN3O — CID 126793937

IUPAC2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCCN1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-3-16(7-4-8-17-16)15(20)19-13-5-6-14-12(10-13)9-11(2)18-14;/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,19,20);1H
InChIKeyZEBJYHWYUWRHAU-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.37
Rot. Bonds3

About 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126793937) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126793937
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCCN1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-3-16(7-4-8-17-16)15(20)19-13-5-6-14-12(10-13)9-11(2)18-14;/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,19,20);1H
InChIKeyZEBJYHWYUWRHAU-UHFFFAOYSA-N
XLogP3.37
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 126793937) is 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is CCC1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCCN1.Cl.
What is the InChIKey of 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZEBJYHWYUWRHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c1-3-16(7-4-8-17-16)15(20)19-13-5-6-14-12(10-13)9-11(2)18-14;/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126793937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).