ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate

C13H16N2O4 — CID 169481027

IUPACethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)cc1C(=O)NN
InChIInChI=1S/C13H16N2O4/c1-3-19-12(16)7-5-9-4-6-10(18-2)8-11(9)13(17)15-14/h4-8H,3,14H2,1-2H3,(H,15,17)
InChIKeyGLGQHINCXOINPW-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.88
Rot. Bonds5

About ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate

ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate (PubChem CID 169481027) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
PubChem CID169481027
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)cc1C(=O)NN
InChIInChI=1S/C13H16N2O4/c1-3-19-12(16)7-5-9-4-6-10(18-2)8-11(9)13(17)15-14/h4-8H,3,14H2,1-2H3,(H,15,17)
InChIKeyGLGQHINCXOINPW-UHFFFAOYSA-N
XLogP0.88
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
5-methoxy-2-(4-oxobut-1-enyl)benzohydrazide
CID 170482716
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-[2-(difluoromethyl)-4-methoxyphenyl]prop-2-enoate
CID 166278174
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
CID 33261281
ethyl (E)-3-(2,6,7-trimethoxyphenanthren-9-yl)prop-2-enoate
CID 71534224

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate (CID 169481027) is ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OC)cc1C(=O)NN.
What is the InChIKey of ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate?
The InChIKey is GLGQHINCXOINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-19-12(16)7-5-9-4-6-10(18-2)8-11(9)13(17)15-14/h4-8H,3,14H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate?
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 169481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).