1-(3-methyl-2-methylideneindol-5-yl)ethanone

C12H11NO — CID 158006213

IUPAC1-(3-methyl-2-methylideneindol-5-yl)ethanone
SMILESC=C1N=c2ccc(C(C)=O)cc2=C1C
InChIInChI=1S/C12H11NO/c1-7-8(2)13-12-5-4-10(9(3)14)6-11(7)12/h4-6H,2H2,1,3H3
InChIKeyDOQLAOVPJQLNNB-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.21
Rot. Bonds1

About 1-(3-methyl-2-methylideneindol-5-yl)ethanone

1-(3-methyl-2-methylideneindol-5-yl)ethanone (PubChem CID 158006213) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(3-methyl-2-methylideneindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2-methylideneindol-5-yl)ethanone
PubChem CID158006213
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(3-methyl-2-methylideneindol-5-yl)ethanone
SMILESC=C1N=c2ccc(C(C)=O)cc2=C1C
InChIInChI=1S/C12H11NO/c1-7-8(2)13-12-5-4-10(9(3)14)6-11(7)12/h4-6H,2H2,1,3H3
InChIKeyDOQLAOVPJQLNNB-UHFFFAOYSA-N
XLogP1.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-2-methylideneindol-5-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-(3-methyl-2-methylideneindol-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-2-methylideneindol-5-yl)ethanone (CID 158006213) is 1-(3-methyl-2-methylideneindol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2-methylideneindol-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2-methylideneindol-5-yl)ethanone is C=C1N=c2ccc(C(C)=O)cc2=C1C.
What is the InChIKey of 1-(3-methyl-2-methylideneindol-5-yl)ethanone?
The InChIKey is DOQLAOVPJQLNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-7-8(2)13-12-5-4-10(9(3)14)6-11(7)12/h4-6H,2H2,1,3H3.
What are the key properties of 1-(3-methyl-2-methylideneindol-5-yl)ethanone?
1-(3-methyl-2-methylideneindol-5-yl)ethanone has a molecular weight of 185.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-methylideneindol-5-yl)ethanone is sourced from PubChem (CID 158006213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).