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

C10H11NO — CID 27673

IUPAC1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKeyRNTCWULFNYNFGI-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.60
Rot. Bonds

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

1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 27673) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID27673
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKeyRNTCWULFNYNFGI-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.60
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
2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
O-Ethylacetanilide
CID 36332
N-Methyloxindole
CID 6096
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
CID 23305
N-2-Tolylmaleimide
CID 19989
N-Ethyloxindole
CID 66135
Super cinnamaldehyde
CID 12480411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)ethanone (CID 27673) is 1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RNTCWULFNYNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 27673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).