3,4-diethyl-2-methylideneindole

C13H15N — CID 87814049

IUPAC3,4-diethyl-2-methylideneindole
SMILESC=C1N=c2cccc(CC)c2=C1CC
InChIInChI=1S/C13H15N/c1-4-10-7-6-8-12-13(10)11(5-2)9(3)14-12/h6-8H,3-5H2,1-2H3
InChIKeyPNOLGIJHSRFMAU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.96
Rot. Bonds2

About 3,4-diethyl-2-methylideneindole

3,4-diethyl-2-methylideneindole (PubChem CID 87814049) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,4-diethyl-2-methylideneindole.

Molecular Properties

Compound Name3,4-diethyl-2-methylideneindole
PubChem CID87814049
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3,4-diethyl-2-methylideneindole
SMILESC=C1N=c2cccc(CC)c2=C1CC
InChIInChI=1S/C13H15N/c1-4-10-7-6-8-12-13(10)11(5-2)9(3)14-12/h6-8H,3-5H2,1-2H3
InChIKeyPNOLGIJHSRFMAU-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-methylideneindole?
The IUPAC name of 3,4-diethyl-2-methylideneindole (CID 87814049) is 3,4-diethyl-2-methylideneindole.
What is the SMILES notation for 3,4-diethyl-2-methylideneindole?
The canonical SMILES for 3,4-diethyl-2-methylideneindole is C=C1N=c2cccc(CC)c2=C1CC.
What is the InChIKey of 3,4-diethyl-2-methylideneindole?
The InChIKey is PNOLGIJHSRFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-10-7-6-8-12-13(10)11(5-2)9(3)14-12/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,4-diethyl-2-methylideneindole?
3,4-diethyl-2-methylideneindole has a molecular weight of 185.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-methylideneindole is sourced from PubChem (CID 87814049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).