methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate

C18H16N2O2 — CID 15151169

IUPACmethyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N=C=Nc1ccc(C)cc1
InChIInChI=1S/C18H16N2O2/c1-14-7-10-16(11-8-14)19-13-20-17-6-4-3-5-15(17)9-12-18(21)22-2/h3-12H,1-2H3/b12-9+
InChIKeyCWQUMPDDIPHZMR-FMIVXFBMSA-N
MW292.34 g/mol
LogP4.32
Rot. Bonds4

About methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate

methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate (PubChem CID 15151169) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate
PubChem CID15151169
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1N=C=Nc1ccc(C)cc1
InChIInChI=1S/C18H16N2O2/c1-14-7-10-16(11-8-14)19-13-20-17-6-4-3-5-15(17)9-12-18(21)22-2/h3-12H,1-2H3/b12-9+
InChIKeyCWQUMPDDIPHZMR-FMIVXFBMSA-N
XLogP4.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate (CID 15151169) is methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccccc1N=C=Nc1ccc(C)cc1.
What is the InChIKey of methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate?
The InChIKey is CWQUMPDDIPHZMR-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-14-7-10-16(11-8-14)19-13-20-17-6-4-3-5-15(17)9-12-18(21)22-2/h3-12H,1-2H3/b12-9+.
What are the key properties of methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate?
methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-enoate is sourced from PubChem (CID 15151169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).