(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid

C13H14N2O5 — CID 92957533

IUPAC(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
SMILESCOc1ccc(CC(=O)NNC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C13H14N2O5/c1-20-10-4-2-9(3-5-10)8-12(17)15-14-11(16)6-7-13(18)19/h2-7H,8H2,1H3,(H,14,16)(H,15,17)(H,18,19)/b7-6-
InChIKeyZGHKMYYTKXNQNM-SREVYHEPSA-N
MW278.26 g/mol
LogP0.03
Rot. Bonds5

About (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid

(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 92957533) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID92957533
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
SMILESCOc1ccc(CC(=O)NNC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C13H14N2O5/c1-20-10-4-2-9(3-5-10)8-12(17)15-14-11(16)6-7-13(18)19/h2-7H,8H2,1H3,(H,14,16)(H,15,17)(H,18,19)/b7-6-
InChIKeyZGHKMYYTKXNQNM-SREVYHEPSA-N
XLogP0.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
2-(4-hydroxyphenyl)-N'-(4-methoxyphenyl)acetohydrazide
CID 86181946
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
CID 3272793
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid (CID 92957533) is (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid is COc1ccc(CC(=O)NNC(=O)/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid?
The InChIKey is ZGHKMYYTKXNQNM-SREVYHEPSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-20-10-4-2-9(3-5-10)8-12(17)15-14-11(16)6-7-13(18)19/h2-7H,8H2,1H3,(H,14,16)(H,15,17)(H,18,19)/b7-6-.
What are the key properties of (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid?
(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 92957533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).