(1E)-1-phenacyloxyiminonaphthalen-2-one

C18H13NO3 — CID 71545235

IUPAC(1E)-1-phenacyloxyiminonaphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=N\OCC(=O)c1ccccc1
InChIInChI=1S/C18H13NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-22-12-17(21)14-7-2-1-3-8-14/h1-11H,12H2/b19-18+
InChIKeyVFSZBNFXRVNZTN-VHEBQXMUSA-N
MW291.31 g/mol
LogP2.89
Rot. Bonds4

About (1E)-1-phenacyloxyiminonaphthalen-2-one

(1E)-1-phenacyloxyiminonaphthalen-2-one (PubChem CID 71545235) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is (1E)-1-phenacyloxyiminonaphthalen-2-one.

Molecular Properties

Compound Name(1E)-1-phenacyloxyiminonaphthalen-2-one
PubChem CID71545235
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name(1E)-1-phenacyloxyiminonaphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=N\OCC(=O)c1ccccc1
InChIInChI=1S/C18H13NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-22-12-17(21)14-7-2-1-3-8-14/h1-11H,12H2/b19-18+
InChIKeyVFSZBNFXRVNZTN-VHEBQXMUSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-1-phenacyloxyiminonaphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenyl-1H-2,3-benzoxazin-1-one
CID 262685
10-Phenylmethoxyiminoanthracen-9-one
CID 46855323
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
2,3-Bis({[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy})-1,4-dihydronaphthalene-1,4-dione
CID 3982441
2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
CID 6055013
(E)-methyl 2-[methyl(3-trifluoromethylphenyl)oximinomethyl]phenylglyoxalate
CID 86747146
methyl 2-[2-[(E)-N-methoxy-C-[3-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]-2-oxoacetate
CID 140367388
2,3-Bis{[(2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]oxy}naphthoquinone
CID 5339806
1, O-Benzyloxime
CID 9601283
Methanone, [4,5-dihydro-5-(phenylmethyl)-3-isoxazolyl]phenyl-
CID 11414425
2-(2-Imino-2-phenylethoxy)-1-phenylethan-1-one
CID 12781822
5-Benzoyl-3-methyl-4-phenyl-4,5-dihydroisoxazole-2-oxide
CID 13483972

Frequently Asked Questions

What is the IUPAC name of (1E)-1-phenacyloxyiminonaphthalen-2-one?
The IUPAC name of (1E)-1-phenacyloxyiminonaphthalen-2-one (CID 71545235) is (1E)-1-phenacyloxyiminonaphthalen-2-one.
What is the SMILES notation for (1E)-1-phenacyloxyiminonaphthalen-2-one?
The canonical SMILES for (1E)-1-phenacyloxyiminonaphthalen-2-one is O=C1C=Cc2ccccc2/C1=N\OCC(=O)c1ccccc1.
What is the InChIKey of (1E)-1-phenacyloxyiminonaphthalen-2-one?
The InChIKey is VFSZBNFXRVNZTN-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H13NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-22-12-17(21)14-7-2-1-3-8-14/h1-11H,12H2/b19-18+.
What are the key properties of (1E)-1-phenacyloxyiminonaphthalen-2-one?
(1E)-1-phenacyloxyiminonaphthalen-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-phenacyloxyiminonaphthalen-2-one is sourced from PubChem (CID 71545235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).