1,6,7-trimethyl-3H-indol-1-ium

C11H14N+ — CID 160685915

IUPAC1,6,7-trimethyl-3H-indol-1-ium
SMILESCc1ccc2c(c1C)[N+](C)=CC2
InChIInChI=1S/C11H14N/c1-8-4-5-10-6-7-12(3)11(10)9(8)2/h4-5,7H,6H2,1-3H3/q+1
InChIKeyGRCAHCXDOJKURE-UHFFFAOYSA-N
MW160.24 g/mol
LogP2.20
Rot. Bonds

About 1,6,7-trimethyl-3H-indol-1-ium

1,6,7-trimethyl-3H-indol-1-ium (PubChem CID 160685915) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,6,7-trimethyl-3H-indol-1-ium.

Molecular Properties

Compound Name1,6,7-trimethyl-3H-indol-1-ium
PubChem CID160685915
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name1,6,7-trimethyl-3H-indol-1-ium
SMILESCc1ccc2c(c1C)[N+](C)=CC2
InChIInChI=1S/C11H14N/c1-8-4-5-10-6-7-12(3)11(10)9(8)2/h4-5,7H,6H2,1-3H3/q+1
InChIKeyGRCAHCXDOJKURE-UHFFFAOYSA-N
XLogP2.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-3H-indol-1-ium?
The IUPAC name of 1,6,7-trimethyl-3H-indol-1-ium (CID 160685915) is 1,6,7-trimethyl-3H-indol-1-ium.
What is the SMILES notation for 1,6,7-trimethyl-3H-indol-1-ium?
The canonical SMILES for 1,6,7-trimethyl-3H-indol-1-ium is Cc1ccc2c(c1C)[N+](C)=CC2.
What is the InChIKey of 1,6,7-trimethyl-3H-indol-1-ium?
The InChIKey is GRCAHCXDOJKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-8-4-5-10-6-7-12(3)11(10)9(8)2/h4-5,7H,6H2,1-3H3/q+1.
What are the key properties of 1,6,7-trimethyl-3H-indol-1-ium?
1,6,7-trimethyl-3H-indol-1-ium has a molecular weight of 160.24 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-3H-indol-1-ium is sourced from PubChem (CID 160685915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).