3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one

C17H25NO2 — CID 118081045

IUPAC3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one
SMILESCCC1=C(C)C(CN2CCOCC2)C2=C1C(=O)CCC2
InChIInChI=1S/C17H25NO2/c1-3-13-12(2)15(11-18-7-9-20-10-8-18)14-5-4-6-16(19)17(13)14/h15H,3-11H2,1-2H3
InChIKeyZSHCMBRJZQHFOT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.72
Rot. Bonds3

About 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one

3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one (PubChem CID 118081045) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one
PubChem CID118081045
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one
SMILESCCC1=C(C)C(CN2CCOCC2)C2=C1C(=O)CCC2
InChIInChI=1S/C17H25NO2/c1-3-13-12(2)15(11-18-7-9-20-10-8-18)14-5-4-6-16(19)17(13)14/h15H,3-11H2,1-2H3
InChIKeyZSHCMBRJZQHFOT-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1(2H)-Pentalenone, 3,4,5,6-tetrahydro-3-methyl-2-(morpholinomethyl)-, hydrochloride
CID 3021234
1-Indanone, 4,5,6,7-tetrahydro-2-(morpholinomethyl)-, hydrochloride
CID 3021244
1-Indanone, 4,5,6,7-tetrahydro-3-methyl-4-(morpholinomethyl)-, hydrochloride
CID 3021250
2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one
CID 368459
3-methyl-2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one
CID 3021235
1H-Inden-1-one, 2,3,4,5,6,7-hexahydro-2-(4-morpholinylmethyl)-
CID 3021245
3-Methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
CID 3021251
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 6172318
3,5,5-Trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 12543840
2-Butanoyl-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 24976737
2,3,5-Trimethyl-6-(3-methyl-4-morpholin-4-yl-4-oxobutyl)cyclohexa-2,5-diene-1,4-dione
CID 67159972
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 70452224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one?
The IUPAC name of 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one (CID 118081045) is 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one is CCC1=C(C)C(CN2CCOCC2)C2=C1C(=O)CCC2.
What is the InChIKey of 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one?
The InChIKey is ZSHCMBRJZQHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-12(2)15(11-18-7-9-20-10-8-18)14-5-4-6-16(19)17(13)14/h15H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one?
3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one has a molecular weight of 275.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroinden-4-one is sourced from PubChem (CID 118081045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).