[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone

C15H26N2O — CID 124861773

IUPAC[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
SMILESC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C15H26N2O/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12/h10-14H,2-9,16H2,1H3/t10-,11+,12+,13-,14+/m1/s1
InChIKeyJOKQOQFXHCACIU-HTOAHKCRSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds1

About [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone

[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone (PubChem CID 124861773) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
PubChem CID124861773
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
SMILESC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C15H26N2O/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12/h10-14H,2-9,16H2,1H3/t10-,11+,12+,13-,14+/m1/s1
InChIKeyJOKQOQFXHCACIU-HTOAHKCRSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone with MolForge

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Related Compounds

(3-aminocyclopentyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone;hydrochloride
CID 119039188
(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 119784899
cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 71930686
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
CID 81488864
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153
(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone
CID 71925438
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
(4S)-4-[(2R,3aS,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124731997
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone?
The IUPAC name of [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone (CID 124861773) is [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone.
What is the SMILES notation for [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone?
The canonical SMILES for [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone is C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone?
The InChIKey is JOKQOQFXHCACIU-HTOAHKCRSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-8-11-4-2-3-5-14(11)17(10)15(18)12-6-7-13(16)9-12/h10-14H,2-9,16H2,1H3/t10-,11+,12+,13-,14+/m1/s1.
What are the key properties of [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone?
[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone has a molecular weight of 250.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone is sourced from PubChem (CID 124861773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).