N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide

C13H23N3O — CID 171577259

IUPACN-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NN1CCC2CCCCC21)N1CCCC1
InChIInChI=1S/C13H23N3O/c17-13(15-8-3-4-9-15)14-16-10-7-11-5-1-2-6-12(11)16/h11-12H,1-10H2,(H,14,17)
InChIKeyYQSGLEMCEFMNEI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.97
Rot. Bonds1

About N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 171577259) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide
PubChem CID171577259
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(NN1CCC2CCCCC21)N1CCCC1
InChIInChI=1S/C13H23N3O/c17-13(15-8-3-4-9-15)14-16-10-7-11-5-1-2-6-12(11)16/h11-12H,1-10H2,(H,14,17)
InChIKeyYQSGLEMCEFMNEI-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 60611198
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
N-(cyclopropanecarbonyl)azepane-1-carboxamide
CID 110866290

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide (CID 171577259) is N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide is O=C(NN1CCC2CCCCC21)N1CCCC1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is YQSGLEMCEFMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(15-8-3-4-9-15)14-16-10-7-11-5-1-2-6-12(11)16/h11-12H,1-10H2,(H,14,17).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 171577259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).