methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate

C19H17NO2 — CID 142156769

IUPACmethyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate
SMILESC=C(/N=C/c1ccccc1/C=C/C(=O)OC)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-15(16-8-4-3-5-9-16)20-14-18-11-7-6-10-17(18)12-13-19(21)22-2/h3-14H,1H2,2H3/b13-12+,20-14+
InChIKeyYCEJCCXONYJZMM-VIWRHKKTSA-N
MW291.35 g/mol
LogP3.96
Rot. Bonds5

About methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate

methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate (PubChem CID 142156769) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate
PubChem CID142156769
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Namemethyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate
SMILESC=C(/N=C/c1ccccc1/C=C/C(=O)OC)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-15(16-8-4-3-5-9-16)20-14-18-11-7-6-10-17(18)12-13-19(21)22-2/h3-14H,1H2,2H3/b13-12+,20-14+
InChIKeyYCEJCCXONYJZMM-VIWRHKKTSA-N
XLogP3.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl 3-[2-(phenyliminomethylideneamino)phenyl]prop-2-enoate
CID 73080445
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl 3-(2-isothiocyanatophenyl)prop-2-enoate
CID 85423919
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
methyl (E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoate
CID 122514319
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (Z)-3-[2-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]phenyl]prop-2-enoate
CID 12066527
3-(3-methoxy-3-oxoprop-1-enyl)-2-methylbenzoic acid
CID 169479186
methyl 3-[2-(carbamothioylamino)phenyl]prop-2-enoate
CID 169357258
methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
CID 145265923

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate (CID 142156769) is methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate is C=C(/N=C/c1ccccc1/C=C/C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate?
The InChIKey is YCEJCCXONYJZMM-VIWRHKKTSA-N. The full InChI is InChI=1S/C19H17NO2/c1-15(16-8-4-3-5-9-16)20-14-18-11-7-6-10-17(18)12-13-19(21)22-2/h3-14H,1H2,2H3/b13-12+,20-14+.
What are the key properties of methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate?
methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-(1-phenylethenyliminomethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 142156769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).