3,4,5-trimethyl-2-methylideneindole

C12H13N — CID 141001396

IUPAC3,4,5-trimethyl-2-methylideneindole
SMILESC=C1N=c2ccc(C)c(C)c2=C1C
InChIInChI=1S/C12H13N/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11/h5-6H,4H2,1-3H3
InChIKeyFJOBTVIZFWZUMM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.62
Rot. Bonds

About 3,4,5-trimethyl-2-methylideneindole

3,4,5-trimethyl-2-methylideneindole (PubChem CID 141001396) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name3,4,5-trimethyl-2-methylideneindole
PubChem CID141001396
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,4,5-trimethyl-2-methylideneindole
SMILESC=C1N=c2ccc(C)c(C)c2=C1C
InChIInChI=1S/C12H13N/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11/h5-6H,4H2,1-3H3
InChIKeyFJOBTVIZFWZUMM-UHFFFAOYSA-N
XLogP1.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-methylideneindole?
The IUPAC name of 3,4,5-trimethyl-2-methylideneindole (CID 141001396) is 3,4,5-trimethyl-2-methylideneindole.
What is the SMILES notation for 3,4,5-trimethyl-2-methylideneindole?
The canonical SMILES for 3,4,5-trimethyl-2-methylideneindole is C=C1N=c2ccc(C)c(C)c2=C1C.
What is the InChIKey of 3,4,5-trimethyl-2-methylideneindole?
The InChIKey is FJOBTVIZFWZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-7-5-6-11-12(8(7)2)9(3)10(4)13-11/h5-6H,4H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-2-methylideneindole?
3,4,5-trimethyl-2-methylideneindole has a molecular weight of 171.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-methylideneindole is sourced from PubChem (CID 141001396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).