1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one

C12H15NO — CID 23566601

IUPAC1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cccc(C)c21
InChIInChI=1S/C12H15NO/c1-3-11(14)13-8-7-10-6-4-5-9(2)12(10)13/h4-6H,3,7-8H2,1-2H3
InChIKeyIMABPPGHDZRMBJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.29
Rot. Bonds1

About 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one

1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 23566601) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID23566601
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cccc(C)c21
InChIInChI=1S/C12H15NO/c1-3-11(14)13-8-7-10-6-4-5-9(2)12(10)13/h4-6H,3,7-8H2,1-2H3
InChIKeyIMABPPGHDZRMBJ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-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

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
N,N,7-trimethyl-2,3-dihydroindole-1-carboxamide
CID 167015485
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-ethyl-5-(7-methyl-2,3-dihydroindole-1-carbonyl)furan-3-carboxylic acid
CID 120822430
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 97072547
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
CID 126776988
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835828
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 112835706
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112835729

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 23566601) is 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one is CCC(=O)N1CCc2cccc(C)c21.
What is the InChIKey of 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is IMABPPGHDZRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-11(14)13-8-7-10-6-4-5-9(2)12(10)13/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one?
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 23566601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).