2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one

C17H26N2O2 — CID 79071235

IUPAC2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1CC1CN(C)CCO1)CC(C)(C)CC2=O
InChIInChI=1S/C17H26N2O2/c1-12-7-14-15(8-17(2,3)9-16(14)20)19(12)11-13-10-18(4)5-6-21-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyKWYOLWOUGJWASD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds2

About 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one

2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one (PubChem CID 79071235) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
PubChem CID79071235
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1CC1CN(C)CCO1)CC(C)(C)CC2=O
InChIInChI=1S/C17H26N2O2/c1-12-7-14-15(8-17(2,3)9-16(14)20)19(12)11-13-10-18(4)5-6-21-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyKWYOLWOUGJWASD-UHFFFAOYSA-N
XLogP2.28
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 106039237
(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
CID 166770798
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
6,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol
CID 79072087
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
4-methyl-3-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-2-thione
CID 81335591
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 64530762
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one?
The IUPAC name of 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one (CID 79071235) is 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one is Cc1cc2c(n1CC1CN(C)CCO1)CC(C)(C)CC2=O.
What is the InChIKey of 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one?
The InChIKey is KWYOLWOUGJWASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-14-15(8-17(2,3)9-16(14)20)19(12)11-13-10-18(4)5-6-21-13/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one?
2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[(4-methylmorpholin-2-yl)methyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 79071235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).