3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one

C17H26N2O2 — CID 10085633

IUPAC3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2
InChIInChI=1S/C17H26N2O2/c1-3-14-12(2)18-15-5-4-13(17(20)16(14)15)6-7-19-8-10-21-11-9-19/h13,18H,3-11H2,1-2H3
InChIKeyIRFDYMHWMBALRS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds4

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

3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 10085633) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID10085633
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2
InChIInChI=1S/C17H26N2O2/c1-3-14-12(2)18-15-5-4-13(17(20)16(14)15)6-7-19-8-10-21-11-9-19/h13,18H,3-11H2,1-2H3
InChIKeyIRFDYMHWMBALRS-UHFFFAOYSA-N
XLogP2.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

Molindone
CID 23897
Molindone Hydrochloride
CID 9883259
Piquindone
CID 121903
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 3791119
Piquindone Hydrochloride
CID 11954264
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one;hydrochloride
CID 15572931
3-ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
CID 5249961
Molindone, (S)-
CID 6604347
3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 80204
(4aR,8aR)-3-Ethyl-2,6-dimethyl-1,4a,5,6,7,8,8a,9-octahydro-4H-pyrrolo[2,3-g]isoquinolin-4-one--hydrogen chloride (1/1)
CID 3058849
Indol-4(5H)-one, 6,7-dihydro-2,3-dimethyl-
CID 22495
AL 1612
CID 32888

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one (CID 10085633) is 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one is CCc1c(C)[nH]c2c1C(=O)C(CCN1CCOCC1)CC2.
What is the InChIKey of 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is IRFDYMHWMBALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-12(2)18-15-5-4-13(17(20)16(14)15)6-7-19-8-10-21-11-9-19/h13,18H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one?
3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 10085633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).