1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone

C12H15NO — CID 101108036

IUPAC1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
SMILESCCc1cccc2c1N(C(C)=O)CC2
InChIInChI=1S/C12H15NO/c1-3-10-5-4-6-11-7-8-13(9(2)14)12(10)11/h4-6H,3,7-8H2,1-2H3
InChIKeyUEKJMDCXARSVHK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds1

About 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone

1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 101108036) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID101108036
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
SMILESCCc1cccc2c1N(C(C)=O)CC2
InChIInChI=1S/C12H15NO/c1-3-10-5-4-6-11-7-8-13(9(2)14)12(10)11/h4-6H,3,7-8H2,1-2H3
InChIKeyUEKJMDCXARSVHK-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone
CID 82625906
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
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1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
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1,8-diethyl-3,4-dihydro-2H-quinoline;methane
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5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 138994394
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
tert-butyl 7-[(2-methylbutan-2-ylamino)methyl]-2,3-dihydroindole-1-carboxylate
CID 103761026
tert-butyl 7-(ethylaminomethyl)-2,3-dihydroindole-1-carboxylate
CID 80502179
1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone (CID 101108036) is 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone is CCc1cccc2c1N(C(C)=O)CC2.
What is the InChIKey of 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is UEKJMDCXARSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-10-5-4-6-11-7-8-13(9(2)14)12(10)11/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone?
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 101108036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).