ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate

C16H18N2O3 — CID 95172250

IUPACethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C16H18N2O3/c1-4-21-16(19)14(15-17-8-9-18(15)2)11-12-6-5-7-13(10-12)20-3/h5-11H,4H2,1-3H3/b14-11-
InChIKeyFTVIYAJNRZJNSH-KAMYIIQDSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds5

About ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate

ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate (PubChem CID 95172250) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
PubChem CID95172250
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C16H18N2O3/c1-4-21-16(19)14(15-17-8-9-18(15)2)11-12-6-5-7-13(10-12)20-3/h5-11H,4H2,1-3H3/b14-11-
InChIKeyFTVIYAJNRZJNSH-KAMYIIQDSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-(1-methylimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enoate
CID 51093292
ethyl (E)-3-(3-ethoxy-4-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 47073021
ethyl 2-(1-methylimidazol-2-yl)-3-(4-methylphenyl)prop-2-enoate
CID 47393875
methyl 4-[(E)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 51093301
methyl 4-[(Z)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 95172253
ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 47393873
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 5376699
3-ethoxycarbonyl-4-(3-methoxyphenyl)but-3-enoic acid
CID 54425724
ethyl (E)-2-(1-benzylimidazol-2-yl)-3-[3-[(3-cyanophenyl)methoxy]phenyl]prop-2-enoate
CID 60583390
ethyl (Z)-3-(3-methoxyphenyl)-2-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)prop-2-enoate
CID 9448089
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate (CID 95172250) is ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate is CCOC(=O)/C(=C\c1cccc(OC)c1)c1nccn1C.
What is the InChIKey of ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
The InChIKey is FTVIYAJNRZJNSH-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-21-16(19)14(15-17-8-9-18(15)2)11-12-6-5-7-13(10-12)20-3/h5-11H,4H2,1-3H3/b14-11-.
What are the key properties of ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate?
ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate has a molecular weight of 286.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate is sourced from PubChem (CID 95172250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).