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

C15H26N2O2 — CID 71925438

IUPAC(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CN(C)CCO1
InChIInChI=1S/C15H26N2O2/c1-11-9-12-5-3-4-6-13(12)17(11)15(18)14-10-16(2)7-8-19-14/h11-14H,3-10H2,1-2H3
InChIKeyPPPKUAGWBDLNDU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.50
Rot. Bonds1

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

(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 71925438) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone
PubChem CID71925438
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CN(C)CCO1
InChIInChI=1S/C15H26N2O2/c1-11-9-12-5-3-4-6-13(12)17(11)15(18)14-10-16(2)7-8-19-14/h11-14H,3-10H2,1-2H3
InChIKeyPPPKUAGWBDLNDU-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone with MolForge

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Related Compounds

[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1S,3R)-3-aminocyclopentyl]methanone
CID 124861773
(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
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanone
CID 79077507
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
(3-methylcyclohexyl)-(4-methylmorpholin-2-yl)methanone
CID 79077097
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124743441
(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
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylmorpholin-2-yl)methanone
CID 71983879

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone (CID 71925438) is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone is CC1CC2CCCCC2N1C(=O)C1CN(C)CCO1.
What is the InChIKey of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is PPPKUAGWBDLNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-9-12-5-3-4-6-13(12)17(11)15(18)14-10-16(2)7-8-19-14/h11-14H,3-10H2,1-2H3.
What are the key properties of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone?
(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 71925438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).