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

C11H12N2O3 — CID 18870973

IUPAC(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCc1ccc(NNC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(15)16/h2-7,12H,1H3,(H,13,14)(H,15,16)/b7-6-
InChIKeyHHRDFZYTFJPYSQ-SREVYHEPSA-N
MW220.23 g/mol
LogP1.08
Rot. Bonds4

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

(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 18870973) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID18870973
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCc1ccc(NNC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(15)16/h2-7,12H,1H3,(H,13,14)(H,15,16)/b7-6-
InChIKeyHHRDFZYTFJPYSQ-SREVYHEPSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid (CID 18870973) is (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid is Cc1ccc(NNC(=O)/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid?
The InChIKey is HHRDFZYTFJPYSQ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8-2-4-9(5-3-8)12-13-10(14)6-7-11(15)16/h2-7,12H,1H3,(H,13,14)(H,15,16)/b7-6-.
What are the key properties of (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid?
(Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(4-methylphenyl)hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 18870973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).