1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone

C11H13NO — CID 117201827

IUPAC1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
SMILESCC(=O)C1CNc2ccc(C)cc21
InChIInChI=1S/C11H13NO/c1-7-3-4-11-9(5-7)10(6-12-11)8(2)13/h3-5,10,12H,6H2,1-2H3
InChIKeyDFQQADIANUCYDV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds1

About 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone

1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 117201827) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID117201827
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
SMILESCC(=O)C1CNc2ccc(C)cc21
InChIInChI=1S/C11H13NO/c1-7-3-4-11-9(5-7)10(6-12-11)8(2)13/h3-5,10,12H,6H2,1-2H3
InChIKeyDFQQADIANUCYDV-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone (CID 117201827) is 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone is CC(=O)C1CNc2ccc(C)cc21.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is DFQQADIANUCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-3-4-11-9(5-7)10(6-12-11)8(2)13/h3-5,10,12H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone?
1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 117201827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).