(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate

C14H15N2O4- — CID 7029002

IUPAC(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate
SMILESCC(C)c1ccc(C(=O)NNC(=O)/C=C/C(=O)[O-])cc1
InChIInChI=1S/C14H16N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-15-12(17)7-8-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/p-1/b8-7+
InChIKeyUCFOUJFJIJIMMA-BQYQJAHWSA-M
MW275.28 g/mol
LogP-0.12
Rot. Bonds4

About (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate

(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate (PubChem CID 7029002) has the molecular formula C14H15N2O4- and a molecular weight of 275.28 g/mol. Its IUPAC name is (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate.

Molecular Properties

Compound Name(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate
PubChem CID7029002
Molecular FormulaC14H15N2O4-
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate
SMILESCC(C)c1ccc(C(=O)NNC(=O)/C=C/C(=O)[O-])cc1
InChIInChI=1S/C14H16N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-15-12(17)7-8-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/p-1/b8-7+
InChIKeyUCFOUJFJIJIMMA-BQYQJAHWSA-M
XLogP-0.12
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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

4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 7036749
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
(1S,6S)-6-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6949250
(1R,6R)-6-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6949252
6-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744772
lithium 4-propan-2-ylbenzoate
CID 58547643
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate?
The IUPAC name of (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate (CID 7029002) is (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate.
What is the SMILES notation for (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate?
The canonical SMILES for (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate is CC(C)c1ccc(C(=O)NNC(=O)/C=C/C(=O)[O-])cc1.
What is the InChIKey of (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate?
The InChIKey is UCFOUJFJIJIMMA-BQYQJAHWSA-M. The full InChI is InChI=1S/C14H16N2O4/c1-9(2)10-3-5-11(6-4-10)14(20)16-15-12(17)7-8-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/p-1/b8-7+.
What are the key properties of (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate?
(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate has a molecular weight of 275.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate is sourced from PubChem (CID 7029002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).