ethane;1,2,4-trimethylindole

C13H19N — CID 91318944

IUPACethane;1,2,4-trimethylindole
SMILESCC.Cc1cccc2c1cc(C)n2C
InChIInChI=1S/C11H13N.C2H6/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyMBUMSWUZKRKZQY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.82
Rot. Bonds

About ethane;1,2,4-trimethylindole

ethane;1,2,4-trimethylindole (PubChem CID 91318944) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;1,2,4-trimethylindole.

Molecular Properties

Compound Nameethane;1,2,4-trimethylindole
PubChem CID91318944
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Nameethane;1,2,4-trimethylindole
SMILESCC.Cc1cccc2c1cc(C)n2C
InChIInChI=1S/C11H13N.C2H6/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyMBUMSWUZKRKZQY-UHFFFAOYSA-N
XLogP3.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4-trimethylindole?
The IUPAC name of ethane;1,2,4-trimethylindole (CID 91318944) is ethane;1,2,4-trimethylindole.
What is the SMILES notation for ethane;1,2,4-trimethylindole?
The canonical SMILES for ethane;1,2,4-trimethylindole is CC.Cc1cccc2c1cc(C)n2C.
What is the InChIKey of ethane;1,2,4-trimethylindole?
The InChIKey is MBUMSWUZKRKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;1,2,4-trimethylindole?
ethane;1,2,4-trimethylindole has a molecular weight of 189.30 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4-trimethylindole is sourced from PubChem (CID 91318944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).