(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one

C11H11NO2 — CID 17387198

IUPAC(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one
SMILESCC(=O)/C=C(/C=N/O)c1ccccc1
InChIInChI=1S/C11H11NO2/c1-9(13)7-11(8-12-14)10-5-3-2-4-6-10/h2-8,14H,1H3/b11-7-,12-8+
InChIKeyFZHNVHXFXNYZMP-NTLHZVPKSA-N
MW189.21 g/mol
LogP2.12
Rot. Bonds3

About (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one

(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one (PubChem CID 17387198) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one.

Molecular Properties

Compound Name(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one
PubChem CID17387198
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one
SMILESCC(=O)/C=C(/C=N/O)c1ccccc1
InChIInChI=1S/C11H11NO2/c1-9(13)7-11(8-12-14)10-5-3-2-4-6-10/h2-8,14H,1H3/b11-7-,12-8+
InChIKeyFZHNVHXFXNYZMP-NTLHZVPKSA-N
XLogP2.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

Isonitrosoacetophenone
CID 9566037
(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
CID 142575031
2-Hydroxyimino-1-phenylethanone
CID 6399018
Benzoyl acetaldoxime
CID 9561792
(NE)-N-[[2-[(E)-3-phenylprop-1-enyl]cyclopenten-1-yl]methylidene]hydroxylamine
CID 142575043
(NE)-N-[[2-[(E)-2-phenylethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
CID 142575081
O-Methylbenzaldoxime
CID 520653
Benzaldehyde, O-methyloxime
CID 5352920
2-(N-hydroxyimino)-1-phenylethanone
CID 6399451
1-Aci-nitro-2-phenylethane
CID 13718040
1-Aci-nitro-2-(phenyl)ethane
CID 126843460
(3E)-3-methoxyimino-1-phenylpropan-1-one
CID 42604000

Frequently Asked Questions

What is the IUPAC name of (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one?
The IUPAC name of (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one (CID 17387198) is (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one.
What is the SMILES notation for (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one?
The canonical SMILES for (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one is CC(=O)/C=C(/C=N/O)c1ccccc1.
What is the InChIKey of (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one?
The InChIKey is FZHNVHXFXNYZMP-NTLHZVPKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9(13)7-11(8-12-14)10-5-3-2-4-6-10/h2-8,14H,1H3/b11-7-,12-8+.
What are the key properties of (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one?
(E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-5-hydroxyimino-4-phenylpent-3-en-2-one is sourced from PubChem (CID 17387198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).