1-(5-methyl-2,3-dihydroindol-1-yl)ethanone

C11H13NO — CID 18723618

IUPAC1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C11H13NO/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13/h3-4,7H,5-6H2,1-2H3
InChIKeyCKMSIXQLIGCKDR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.90
Rot. Bonds

About 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone

1-(5-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 18723618) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID18723618
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C11H13NO/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13/h3-4,7H,5-6H2,1-2H3
InChIKeyCKMSIXQLIGCKDR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone (CID 18723618) is 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(C)ccc21.
What is the InChIKey of 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CKMSIXQLIGCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
1-(5-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 18723618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).