[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate

C7H9NO3 — CID 140970858

IUPAC[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=NO)C1
InChIInChI=1S/C7H9NO3/c1-5(9)11-7-3-2-6(4-7)8-10/h2-3,7,10H,4H2,1H3/t7-/m0/s1
InChIKeyJJONMSJYRULLID-ZETCQYMHSA-N
MW155.15 g/mol
LogP0.71
Rot. Bonds1

About [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate

[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate (PubChem CID 140970858) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate
PubChem CID140970858
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=NO)C1
InChIInChI=1S/C7H9NO3/c1-5(9)11-7-3-2-6(4-7)8-10/h2-3,7,10H,4H2,1H3/t7-/m0/s1
InChIKeyJJONMSJYRULLID-ZETCQYMHSA-N
XLogP0.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.71
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'}

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Related Compounds

(4-prop-1-ynylcyclohexa-2,4-dien-1-yl) acetate
CID 89208640
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673
[(3aS,4R,7S,7aR)-7-acetyloxy-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-yl] acetate
CID 25186038
(4-chlorocyclohept-2-en-1-yl) acetate
CID 12936437
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl] acetate
CID 10559066
[(1R,2S,5E)-2-acetamido-5-hydroxyiminocyclopent-3-en-1-yl] acetate
CID 11401587
[(1S,4S)-4-fluorocyclohex-2-en-1-yl] acetate
CID 102038901
dimethyl (1S,4R,7S,8S)-7,8-diacetyloxybicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
CID 11823946

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate (CID 140970858) is [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=CC(=NO)C1.
What is the InChIKey of [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate?
The InChIKey is JJONMSJYRULLID-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(9)11-7-3-2-6(4-7)8-10/h2-3,7,10H,4H2,1H3/t7-/m0/s1.
What are the key properties of [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate?
[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate has a molecular weight of 155.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 140970858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).