5-methoxy-1,3,3-trimethyl-2-methylideneindole

C13H17NO — CID 3015829

IUPAC5-methoxy-1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccc(OC)cc2C1(C)C
InChIInChI=1S/C13H17NO/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4/h6-8H,1H2,2-5H3
InChIKeyBGXWEEHVMWADRH-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.94
Rot. Bonds1

About 5-methoxy-1,3,3-trimethyl-2-methylideneindole

5-methoxy-1,3,3-trimethyl-2-methylideneindole (PubChem CID 3015829) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-methoxy-1,3,3-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name5-methoxy-1,3,3-trimethyl-2-methylideneindole
PubChem CID3015829
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-methoxy-1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccc(OC)cc2C1(C)C
InChIInChI=1S/C13H17NO/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4/h6-8H,1H2,2-5H3
InChIKeyBGXWEEHVMWADRH-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-1,3,3-trimethyl-2-methylideneindole 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 5-methoxy-1,3,3-trimethyl-2-methylideneindole?
The IUPAC name of 5-methoxy-1,3,3-trimethyl-2-methylideneindole (CID 3015829) is 5-methoxy-1,3,3-trimethyl-2-methylideneindole.
What is the SMILES notation for 5-methoxy-1,3,3-trimethyl-2-methylideneindole?
The canonical SMILES for 5-methoxy-1,3,3-trimethyl-2-methylideneindole is C=C1N(C)c2ccc(OC)cc2C1(C)C.
What is the InChIKey of 5-methoxy-1,3,3-trimethyl-2-methylideneindole?
The InChIKey is BGXWEEHVMWADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4/h6-8H,1H2,2-5H3.
What are the key properties of 5-methoxy-1,3,3-trimethyl-2-methylideneindole?
5-methoxy-1,3,3-trimethyl-2-methylideneindole has a molecular weight of 203.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3,3-trimethyl-2-methylideneindole is sourced from PubChem (CID 3015829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).