2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone

C14H24N2O — CID 82746210

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H24N2O/c1-10-12(6-8-15-10)14(17)16-9-7-11-4-2-3-5-13(11)16/h10-13,15H,2-9H2,1H3
InChIKeyCRZMSGZMCOBOJH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 82746210) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID82746210
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H24N2O/c1-10-12(6-8-15-10)14(17)16-9-7-11-4-2-3-5-13(11)16/h10-13,15H,2-9H2,1H3
InChIKeyCRZMSGZMCOBOJH-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
CID 114424404
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391262
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
[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
(2,4-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114085728
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-(aminomethyl)cyclohexyl]methanone
CID 82746420
1-(2-methylpiperidine-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196156
N-[[1-(2-methylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 79388933
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone (CID 82746210) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)N1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is CRZMSGZMCOBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-12(6-8-15-10)14(17)16-9-7-11-4-2-3-5-13(11)16/h10-13,15H,2-9H2,1H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 82746210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).