(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide

C12H12N2O4 — CID 6412150

IUPAC(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide
SMILESO=C(/C=C/c1ccccc1)C/C(=N/O)C(=O)NO
InChIInChI=1S/C12H12N2O4/c15-10(8-11(13-17)12(16)14-18)7-6-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,14,16)/b7-6+,13-11-
InChIKeyCPDQYBLQNONGSD-UJSHDLROSA-N
MW248.24 g/mol
LogP0.99
Rot. Bonds5

About (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide

(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide (PubChem CID 6412150) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide.

Molecular Properties

Compound Name(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide
PubChem CID6412150
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide
SMILESO=C(/C=C/c1ccccc1)C/C(=N/O)C(=O)NO
InChIInChI=1S/C12H12N2O4/c15-10(8-11(13-17)12(16)14-18)7-6-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,14,16)/b7-6+,13-11-
InChIKeyCPDQYBLQNONGSD-UJSHDLROSA-N
XLogP0.99
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
2,4-dioxo-6-phenylhex-5-enoic acid
CID 54380615
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
2-methylidene-4-oxo-6-phenylhex-5-enamide
CID 141273751
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide?
The IUPAC name of (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide (CID 6412150) is (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide.
What is the SMILES notation for (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide?
The canonical SMILES for (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide is O=C(/C=C/c1ccccc1)C/C(=N/O)C(=O)NO.
What is the InChIKey of (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide?
The InChIKey is CPDQYBLQNONGSD-UJSHDLROSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10(8-11(13-17)12(16)14-18)7-6-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,14,16)/b7-6+,13-11-.
What are the key properties of (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide?
(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide has a molecular weight of 248.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide is sourced from PubChem (CID 6412150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).