ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate

C18H17NO2 — CID 122707288

IUPACethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
SMILESCCOC(=O)c1ccccc1/N=C/C=C\c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-21-18(20)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-14H,2H2,1H3/b11-8-,19-14+
InChIKeyYXFUBSNJBYNUNF-MQWOAGMPSA-N
MW279.34 g/mol
LogP4.28
Rot. Bonds5

About ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate

ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate (PubChem CID 122707288) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
PubChem CID122707288
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
SMILESCCOC(=O)c1ccccc1/N=C/C=C\c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-21-18(20)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-14H,2H2,1H3/b11-8-,19-14+
InChIKeyYXFUBSNJBYNUNF-MQWOAGMPSA-N
XLogP4.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl benzene-1,2-dicarboxylate;1-(2-phenylethenyl)piperidine
CID 86754086
ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate
CID 177450107
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 92527174
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 135657427
N-(2-ethylphenyl)-3-phenylprop-2-en-1-imine;4-methylbenzenesulfonic acid
CID 174397732
ethyl (5E)-2-methyl-4-oxo-5-[(Z)-3-phenylprop-2-enylidene]furan-3-carboxylate
CID 92528618

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate?
The IUPAC name of ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate (CID 122707288) is ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate?
The canonical SMILES for ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate is CCOC(=O)c1ccccc1/N=C/C=C\c1ccccc1.
What is the InChIKey of ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate?
The InChIKey is YXFUBSNJBYNUNF-MQWOAGMPSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-21-18(20)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-14H,2H2,1H3/b11-8-,19-14+.
What are the key properties of ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate?
ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate has a molecular weight of 279.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate is sourced from PubChem (CID 122707288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).