N-(4-ethenylphenyl)-1-indol-1-ylmethanimine

C17H14N2 — CID 177413145

IUPACN-(4-ethenylphenyl)-1-indol-1-ylmethanimine
SMILESC=Cc1ccc(/N=C/n2ccc3ccccc32)cc1
InChIInChI=1S/C17H14N2/c1-2-14-7-9-16(10-8-14)18-13-19-12-11-15-5-3-4-6-17(15)19/h2-13H,1H2/b18-13+
InChIKeyFWDNKAGFBGUURQ-QGOAFFKASA-N
MW246.31 g/mol
LogP4.49
Rot. Bonds3

About N-(4-ethenylphenyl)-1-indol-1-ylmethanimine

N-(4-ethenylphenyl)-1-indol-1-ylmethanimine (PubChem CID 177413145) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-1-indol-1-ylmethanimine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-1-indol-1-ylmethanimine
PubChem CID177413145
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC NameN-(4-ethenylphenyl)-1-indol-1-ylmethanimine
SMILESC=Cc1ccc(/N=C/n2ccc3ccccc32)cc1
InChIInChI=1S/C17H14N2/c1-2-14-7-9-16(10-8-14)18-13-19-12-11-15-5-3-4-6-17(15)19/h2-13H,1H2/b18-13+
InChIKeyFWDNKAGFBGUURQ-QGOAFFKASA-N
XLogP4.49
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-1-indol-1-ylmethanimine?
The IUPAC name of N-(4-ethenylphenyl)-1-indol-1-ylmethanimine (CID 177413145) is N-(4-ethenylphenyl)-1-indol-1-ylmethanimine.
What is the SMILES notation for N-(4-ethenylphenyl)-1-indol-1-ylmethanimine?
The canonical SMILES for N-(4-ethenylphenyl)-1-indol-1-ylmethanimine is C=Cc1ccc(/N=C/n2ccc3ccccc32)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-1-indol-1-ylmethanimine?
The InChIKey is FWDNKAGFBGUURQ-QGOAFFKASA-N. The full InChI is InChI=1S/C17H14N2/c1-2-14-7-9-16(10-8-14)18-13-19-12-11-15-5-3-4-6-17(15)19/h2-13H,1H2/b18-13+.
What are the key properties of N-(4-ethenylphenyl)-1-indol-1-ylmethanimine?
N-(4-ethenylphenyl)-1-indol-1-ylmethanimine has a molecular weight of 246.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-1-indol-1-ylmethanimine is sourced from PubChem (CID 177413145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).