1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C11H13NO — CID 4308221

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3
InChIKeyXIKHMUMEEURMLM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.98
Rot. Bonds

About 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 4308221) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID4308221
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3
InChIKeyXIKHMUMEEURMLM-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-
CID 36566
N-Methyloxindole
CID 6096
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
CID 23305
N-2-Tolylmaleimide
CID 19989
1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
CID 698299
N-Ethyloxindole
CID 66135
1-(2-Chloroacetyl)indoline
CID 176897

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 4308221) is 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XIKHMUMEEURMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 4308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).