1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one

C11H15NO — CID 12813892

IUPAC1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
SMILESCCN1C(=O)C(C)=C2CCCC=C21
InChIInChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3
InChIKeyRSLJPESMHLIGJD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds1

About 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one

1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one (PubChem CID 12813892) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
PubChem CID12813892
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
SMILESCCN1C(=O)C(C)=C2CCCC=C21
InChIInChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3
InChIKeyRSLJPESMHLIGJD-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243
1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 59284174
1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-Methyl-4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 146566983
1,4-dimethyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 5247676
6-Pentyl-1-propylpyridin-2-one
CID 85801231
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
CID 102590292
1-Methyl-2-oxo-5-methylenindenopyridine
CID 129799724
6-[(E)-dec-5-en-5-yl]-1,4-dimethylpyridin-2-one
CID 176434167

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The IUPAC name of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one (CID 12813892) is 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The canonical SMILES for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one is CCN1C(=O)C(C)=C2CCCC=C21.
What is the InChIKey of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
The InChIKey is RSLJPESMHLIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11(12)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one?
1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one is sourced from PubChem (CID 12813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).