7-methylindol-6-imine

C9H8N2 — CID 69466877

IUPAC7-methylindol-6-imine
SMILES[H]/N=C1\C=CC2=CC=NC2=C1C
InChIInChI=1S/C9H8N2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,10H,1H3/b10-8+
InChIKeySCAPDFVTERNAGX-CSKARUKUSA-N
MW144.18 g/mol
LogP1.86
Rot. Bonds

About 7-methylindol-6-imine

7-methylindol-6-imine (PubChem CID 69466877) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 7-methylindol-6-imine.

Molecular Properties

Compound Name7-methylindol-6-imine
PubChem CID69466877
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name7-methylindol-6-imine
SMILES[H]/N=C1\C=CC2=CC=NC2=C1C
InChIInChI=1S/C9H8N2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,10H,1H3/b10-8+
InChIKeySCAPDFVTERNAGX-CSKARUKUSA-N
XLogP1.86
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylindol-6-imine?
The IUPAC name of 7-methylindol-6-imine (CID 69466877) is 7-methylindol-6-imine.
What is the SMILES notation for 7-methylindol-6-imine?
The canonical SMILES for 7-methylindol-6-imine is [H]/N=C1\C=CC2=CC=NC2=C1C.
What is the InChIKey of 7-methylindol-6-imine?
The InChIKey is SCAPDFVTERNAGX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H8N2/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,10H,1H3/b10-8+.
What are the key properties of 7-methylindol-6-imine?
7-methylindol-6-imine has a molecular weight of 144.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylindol-6-imine is sourced from PubChem (CID 69466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).