(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine

C18H13NO2 — CID 11369389

IUPAC(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine
SMILESCO/N=C(\C#Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO2/c1-20-19-16(12-11-14-7-3-2-4-8-14)18-13-15-9-5-6-10-17(15)21-18/h2-10,13H,1H3/b19-16+
InChIKeyPMCRXFHNGHCLDP-KNTRCKAVSA-N
MW275.31 g/mol
LogP3.84
Rot. Bonds2

About (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine

(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine (PubChem CID 11369389) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine
PubChem CID11369389
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine
SMILESCO/N=C(\C#Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO2/c1-20-19-16(12-11-14-7-3-2-4-8-14)18-13-15-9-5-6-10-17(15)21-18/h2-10,13H,1H3/b19-16+
InChIKeyPMCRXFHNGHCLDP-KNTRCKAVSA-N
XLogP3.84
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
2-(2-phenylethynyl)-1-benzofuran
CID 3308700
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide
CID 3055567
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine (CID 11369389) is (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine is CO/N=C(\C#Cc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine?
The InChIKey is PMCRXFHNGHCLDP-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H13NO2/c1-20-19-16(12-11-14-7-3-2-4-8-14)18-13-15-9-5-6-10-17(15)21-18/h2-10,13H,1H3/b19-16+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine?
(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine has a molecular weight of 275.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 11369389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).