[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate

C19H17NO3 — CID 10470463

IUPAC[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C/C(=N\O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(21)23-17-12-16(20-22)18(14-8-4-2-5-9-14)19(17)15-10-6-3-7-11-15/h2-11,17,22H,12H2,1H3/b20-16+
InChIKeyQJKDXOHEUKVBOU-CAPFRKAQSA-N
MW307.35 g/mol
LogP3.76
Rot. Bonds3

About [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate

[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate (PubChem CID 10470463) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate
PubChem CID10470463
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C/C(=N\O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(21)23-17-12-16(20-22)18(14-8-4-2-5-9-14)19(17)15-10-6-3-7-11-15/h2-11,17,22H,12H2,1H3/b20-16+
InChIKeyQJKDXOHEUKVBOU-CAPFRKAQSA-N
XLogP3.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxo-7-bicyclo[4.2.0]octa-1(6),3-dienyl) acetate
CID 71342936
[(1S,4S,6R,7R)-8,9-diphenyl-4-tricyclo[4.3.0.03,7]non-8-enyl] acetate
CID 102064517
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine
CID 152760508
methyl 2,3,4,5-tetraphenylcyclohexa-2,4-diene-1-carboxylate
CID 134900005
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone
CID 15674616
methyl 4-[(3R,5S)-5-acetyloxy-2-methyl-3-phenylcyclopenten-1-yl]-4-methylpentanoate
CID 11089230
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
ethyl (1S,2R,5S,6R,9R)-9-acetyloxy-4-phenyltricyclo[4.2.1.02,5]nona-3,7-diene-3-carboxylate
CID 101154723
(1-benzoylsulfanyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 19027349

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate (CID 10470463) is [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate is CC(=O)OC1C/C(=N\O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate?
The InChIKey is QJKDXOHEUKVBOU-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)23-17-12-16(20-22)18(14-8-4-2-5-9-14)19(17)15-10-6-3-7-11-15/h2-11,17,22H,12H2,1H3/b20-16+.
What are the key properties of [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate?
[(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate has a molecular weight of 307.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).