1-(1-methylbenzo[g]indol-3-yl)ethanimine

C15H14N2 — CID 126548321

IUPAC1-(1-methylbenzo[g]indol-3-yl)ethanimine
SMILES[H]/N=C(\C)c1cn(C)c2c1ccc1ccccc12
InChIInChI=1S/C15H14N2/c1-10(16)14-9-17(2)15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,16H,1-2H3/b16-10+
InChIKeyXCVOYKHROAKSTH-MHWRWJLKSA-N
MW222.29 g/mol
LogP3.72
Rot. Bonds1

About 1-(1-methylbenzo[g]indol-3-yl)ethanimine

1-(1-methylbenzo[g]indol-3-yl)ethanimine (PubChem CID 126548321) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-methylbenzo[g]indol-3-yl)ethanimine.

Molecular Properties

Compound Name1-(1-methylbenzo[g]indol-3-yl)ethanimine
PubChem CID126548321
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-(1-methylbenzo[g]indol-3-yl)ethanimine
SMILES[H]/N=C(\C)c1cn(C)c2c1ccc1ccccc12
InChIInChI=1S/C15H14N2/c1-10(16)14-9-17(2)15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,16H,1-2H3/b16-10+
InChIKeyXCVOYKHROAKSTH-MHWRWJLKSA-N
XLogP3.72
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.72
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 1-(1-methylbenzo[g]indol-3-yl)ethanimine?
The IUPAC name of 1-(1-methylbenzo[g]indol-3-yl)ethanimine (CID 126548321) is 1-(1-methylbenzo[g]indol-3-yl)ethanimine.
What is the SMILES notation for 1-(1-methylbenzo[g]indol-3-yl)ethanimine?
The canonical SMILES for 1-(1-methylbenzo[g]indol-3-yl)ethanimine is [H]/N=C(\C)c1cn(C)c2c1ccc1ccccc12.
What is the InChIKey of 1-(1-methylbenzo[g]indol-3-yl)ethanimine?
The InChIKey is XCVOYKHROAKSTH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2/c1-10(16)14-9-17(2)15-12-6-4-3-5-11(12)7-8-13(14)15/h3-9,16H,1-2H3/b16-10+.
What are the key properties of 1-(1-methylbenzo[g]indol-3-yl)ethanimine?
1-(1-methylbenzo[g]indol-3-yl)ethanimine has a molecular weight of 222.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzo[g]indol-3-yl)ethanimine is sourced from PubChem (CID 126548321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).