1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one

C12H17NO — CID 121015503

IUPAC1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
SMILESCCn1c(C)cc2c1CCC(C)C2=O
InChIInChI=1S/C12H17NO/c1-4-13-9(3)7-10-11(13)6-5-8(2)12(10)14/h7-8H,4-6H2,1-3H3
InChIKeyHFUAIKHUUUIHEI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.58
Rot. Bonds1

About 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one

1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one (PubChem CID 121015503) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
PubChem CID121015503
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
SMILESCCn1c(C)cc2c1CCC(C)C2=O
InChIInChI=1S/C12H17NO/c1-4-13-9(3)7-10-11(13)6-5-8(2)12(10)14/h7-8H,4-6H2,1-3H3
InChIKeyHFUAIKHUUUIHEI-UHFFFAOYSA-N
XLogP2.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
1,6-dimethyl-4,6,7,8-tetrahydropyrrolo[3,2-b]azepin-5-one
CID 145339607
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
2-methyl-1-(2-prop-2-enylsulfanylethyl)-6,7-dihydro-5H-indol-4-one
CID 106432313
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62024381
2-methyl-1-(thiolan-3-yl)-6,7-dihydro-5H-indol-4-one
CID 103064582
ethane;1-ethyl-3-methylpiperidine-2,6-dione
CID 177191793
3,6-dimethyl-2,3-dihydro-1H-phenanthren-4-one
CID 143069879
2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one
CID 114169236
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 106039234
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one (CID 121015503) is 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one is CCn1c(C)cc2c1CCC(C)C2=O.
What is the InChIKey of 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is HFUAIKHUUUIHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13-9(3)7-10-11(13)6-5-8(2)12(10)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one?
1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 121015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).