2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone

C16H28N2O2 — CID 43579205

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H28N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyHEXVUZUGGSARTJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 43579205) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID43579205
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H28N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyHEXVUZUGGSARTJ-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227103
(5-ethyl-2-methylmorpholin-4-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422854
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056815
(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
CID 63104526
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
(5-ethyl-2-methylmorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61214758
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634534
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
(5-ethyl-2-methylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119682273

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 43579205) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)C1CC2CCCCC2N1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is HEXVUZUGGSARTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43579205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).