3-methyl-4-methylideneindole

C10H9N — CID 139435830

IUPAC3-methyl-4-methylideneindole
SMILESC=c1cccc2c1=C(C)C=N2
InChIInChI=1S/C10H9N/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-6H,1H2,2H3
InChIKeyIMIXCMFEEJDWSP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.98
Rot. Bonds

About 3-methyl-4-methylideneindole

3-methyl-4-methylideneindole (PubChem CID 139435830) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methyl-4-methylideneindole.

Molecular Properties

Compound Name3-methyl-4-methylideneindole
PubChem CID139435830
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-methyl-4-methylideneindole
SMILESC=c1cccc2c1=C(C)C=N2
InChIInChI=1S/C10H9N/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-6H,1H2,2H3
InChIKeyIMIXCMFEEJDWSP-UHFFFAOYSA-N
XLogP0.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylideneindole?
The IUPAC name of 3-methyl-4-methylideneindole (CID 139435830) is 3-methyl-4-methylideneindole.
What is the SMILES notation for 3-methyl-4-methylideneindole?
The canonical SMILES for 3-methyl-4-methylideneindole is C=c1cccc2c1=C(C)C=N2.
What is the InChIKey of 3-methyl-4-methylideneindole?
The InChIKey is IMIXCMFEEJDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-6H,1H2,2H3.
What are the key properties of 3-methyl-4-methylideneindole?
3-methyl-4-methylideneindole has a molecular weight of 143.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylideneindole is sourced from PubChem (CID 139435830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).