2-benzylidene-N-methoxy-3H-inden-1-imine

C17H15NO — CID 175907535

IUPAC2-benzylidene-N-methoxy-3H-inden-1-imine
SMILESCON=C1C(=Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C17H15NO/c1-19-18-17-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-11H,12H2,1H3
InChIKeyFZXRHVCEODCFFJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.68
Rot. Bonds2

About 2-benzylidene-N-methoxy-3H-inden-1-imine

2-benzylidene-N-methoxy-3H-inden-1-imine (PubChem CID 175907535) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-benzylidene-N-methoxy-3H-inden-1-imine.

Molecular Properties

Compound Name2-benzylidene-N-methoxy-3H-inden-1-imine
PubChem CID175907535
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-benzylidene-N-methoxy-3H-inden-1-imine
SMILESCON=C1C(=Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C17H15NO/c1-19-18-17-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-11H,12H2,1H3
InChIKeyFZXRHVCEODCFFJ-UHFFFAOYSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-N-methoxy-3H-inden-1-imine?
The IUPAC name of 2-benzylidene-N-methoxy-3H-inden-1-imine (CID 175907535) is 2-benzylidene-N-methoxy-3H-inden-1-imine.
What is the SMILES notation for 2-benzylidene-N-methoxy-3H-inden-1-imine?
The canonical SMILES for 2-benzylidene-N-methoxy-3H-inden-1-imine is CON=C1C(=Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of 2-benzylidene-N-methoxy-3H-inden-1-imine?
The InChIKey is FZXRHVCEODCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-19-18-17-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-11H,12H2,1H3.
What are the key properties of 2-benzylidene-N-methoxy-3H-inden-1-imine?
2-benzylidene-N-methoxy-3H-inden-1-imine has a molecular weight of 249.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-N-methoxy-3H-inden-1-imine is sourced from PubChem (CID 175907535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).