2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

C16H22N2O3 — CID 35814605

IUPAC2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H22N2O3/c1-9-7-18(8-10(2)21-9)16(20)15-11(3)14-12(17-15)5-4-6-13(14)19/h9-10,17H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyKWSBOWVFCJJCDL-UWVGGRQHSA-N
MW290.36 g/mol
LogP2.09
Rot. Bonds1

About 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 35814605) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID35814605
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H22N2O3/c1-9-7-18(8-10(2)21-9)16(20)15-11(3)14-12(17-15)5-4-6-13(14)19/h9-10,17H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyKWSBOWVFCJJCDL-UWVGGRQHSA-N
XLogP2.09
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 35814605) is 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is KWSBOWVFCJJCDL-UWVGGRQHSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-7-18(8-10(2)21-9)16(20)15-11(3)14-12(17-15)5-4-6-13(14)19/h9-10,17H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 290.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 35814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).