2,4,5,6,7-pentamethyl-3H-indole

C13H17N — CID 54195015

IUPAC2,4,5,6,7-pentamethyl-3H-indole
SMILESCC1=Nc2c(C)c(C)c(C)c(C)c2C1
InChIInChI=1S/C13H17N/c1-7-6-12-10(4)8(2)9(3)11(5)13(12)14-7/h6H2,1-5H3
InChIKeyPLEIKVRDHWKZHF-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.57
Rot. Bonds

About 2,4,5,6,7-pentamethyl-3H-indole

2,4,5,6,7-pentamethyl-3H-indole (PubChem CID 54195015) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2,4,5,6,7-pentamethyl-3H-indole.

Molecular Properties

Compound Name2,4,5,6,7-pentamethyl-3H-indole
PubChem CID54195015
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2,4,5,6,7-pentamethyl-3H-indole
SMILESCC1=Nc2c(C)c(C)c(C)c(C)c2C1
InChIInChI=1S/C13H17N/c1-7-6-12-10(4)8(2)9(3)11(5)13(12)14-7/h6H2,1-5H3
InChIKeyPLEIKVRDHWKZHF-UHFFFAOYSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,7-pentamethyl-3H-indole?
The IUPAC name of 2,4,5,6,7-pentamethyl-3H-indole (CID 54195015) is 2,4,5,6,7-pentamethyl-3H-indole.
What is the SMILES notation for 2,4,5,6,7-pentamethyl-3H-indole?
The canonical SMILES for 2,4,5,6,7-pentamethyl-3H-indole is CC1=Nc2c(C)c(C)c(C)c(C)c2C1.
What is the InChIKey of 2,4,5,6,7-pentamethyl-3H-indole?
The InChIKey is PLEIKVRDHWKZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-7-6-12-10(4)8(2)9(3)11(5)13(12)14-7/h6H2,1-5H3.
What are the key properties of 2,4,5,6,7-pentamethyl-3H-indole?
2,4,5,6,7-pentamethyl-3H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7-pentamethyl-3H-indole is sourced from PubChem (CID 54195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).