4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate

C12H11N2O5- — CID 7036749

IUPAC4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate
SMILESCOc1ccc(C(=O)NNC(=O)C=CC(=O)[O-])cc1
InChIInChI=1S/C12H12N2O5/c1-19-9-4-2-8(3-5-9)12(18)14-13-10(15)6-7-11(16)17/h2-7H,1H3,(H,13,15)(H,14,18)(H,16,17)/p-1
InChIKeyJHRBEIOILFPSIU-UHFFFAOYSA-M
MW263.23 g/mol
LogP-1.24
Rot. Bonds4

About 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate

4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate (PubChem CID 7036749) has the molecular formula C12H11N2O5- and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate.

Molecular Properties

Compound Name4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate
PubChem CID7036749
Molecular FormulaC12H11N2O5-
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate
SMILESCOc1ccc(C(=O)NNC(=O)C=CC(=O)[O-])cc1
InChIInChI=1S/C12H12N2O5/c1-19-9-4-2-8(3-5-9)12(18)14-13-10(15)6-7-11(16)17/h2-7H,1H3,(H,13,15)(H,14,18)(H,16,17)/p-1
InChIKeyJHRBEIOILFPSIU-UHFFFAOYSA-M
XLogP-1.24
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate
CID 7029002
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
(E)-4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 2245909
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate?
The IUPAC name of 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate (CID 7036749) is 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate.
What is the SMILES notation for 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate?
The canonical SMILES for 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate is COc1ccc(C(=O)NNC(=O)C=CC(=O)[O-])cc1.
What is the InChIKey of 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate?
The InChIKey is JHRBEIOILFPSIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O5/c1-19-9-4-2-8(3-5-9)12(18)14-13-10(15)6-7-11(16)17/h2-7H,1H3,(H,13,15)(H,14,18)(H,16,17)/p-1.
What are the key properties of 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate?
4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate has a molecular weight of 263.23 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate is sourced from PubChem (CID 7036749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).