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

C12H22N2O — CID 115599234

IUPACN-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCCCC21
InChIInChI=1S/C12H22N2O/c1-9(2)13-12(15)14-8-7-10-5-3-4-6-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyWABYNIAZJCCZNM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.37
Rot. Bonds1

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

N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 115599234) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID115599234
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCCCC21
InChIInChI=1S/C12H22N2O/c1-9(2)13-12(15)14-8-7-10-5-3-4-6-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyWABYNIAZJCCZNM-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)butanoic acid
CID 82750338
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
(2S)-2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-5-amino-5-oxopentanoic acid
CID 82753203
(2S)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-methylpentanoic acid
CID 61206521
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(4aS,8aR)-N-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 27209341
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
CID 82848019
[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
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 102557118

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 115599234) is N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CC(C)NC(=O)N1CCC2CCCCC21.
What is the InChIKey of N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is WABYNIAZJCCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)13-12(15)14-8-7-10-5-3-4-6-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 115599234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).