N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C12H22N2O — CID 115599238

IUPACN-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCC2CCCCC21
InChIInChI=1S/C12H22N2O/c1-2-8-13-12(15)14-9-7-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyYUOLLHXGNHXAEL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.37
Rot. Bonds2

About N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 115599238) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID115599238
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCC2CCCCC21
InChIInChI=1S/C12H22N2O/c1-2-8-13-12(15)14-9-7-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyYUOLLHXGNHXAEL-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,7aR)-N-(2-tert-butylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 95968830
N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86962871
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
CID 79546432
N-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 115570696
(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
CID 97310729
2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 71938767
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-oxo-N-propylhexanamide
CID 66794351
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)butanoic acid
CID 82750338
5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686548
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107841410

Frequently Asked Questions

What is the IUPAC name of N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 115599238) is N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CCCNC(=O)N1CCC2CCCCC21.
What is the InChIKey of N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is YUOLLHXGNHXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-8-13-12(15)14-9-7-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 115599238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).