1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone

C12H15NO — CID 45120188

IUPAC1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2cccc(C)c2CC1C
InChIInChI=1S/C12H15NO/c1-8-5-4-6-12-11(8)7-9(2)13(12)10(3)14/h4-6,9H,7H2,1-3H3
InChIKeyMLFFINKDHZEVJX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.29
Rot. Bonds

About 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone

1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 45120188) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID45120188
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2cccc(C)c2CC1C
InChIInChI=1S/C12H15NO/c1-8-5-4-6-12-11(8)7-9(2)13(12)10(3)14/h4-6,9H,7H2,1-3H3
InChIKeyMLFFINKDHZEVJX-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Related Compounds

1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075867
(4S)-5-acetyl-4-methyl-1-(2-oxopropyl)-3,4-dihydro-1,5-benzodiazepin-2-one
CID 849648
1-[2-methyl-4-(2-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253600
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
1-acetyl-2-methyl-4-oxo-2,3-dihydroquinoline-6-carboxylic acid
CID 90293354
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone (CID 45120188) is 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1c2cccc(C)c2CC1C.
What is the InChIKey of 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MLFFINKDHZEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-5-4-6-12-11(8)7-9(2)13(12)10(3)14/h4-6,9H,7H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone?
1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 45120188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).