(3Z)-3-hydroxyiminooxan-2-one

C5H7NO3 — CID 101009343

IUPAC(3Z)-3-hydroxyiminooxan-2-one
SMILESO=C1OCCC/C1=N/O
InChIInChI=1S/C5H7NO3/c7-5-4(6-8)2-1-3-9-5/h8H,1-3H2/b6-4-
InChIKeyPCKQQGYGKHVRDM-XQRVVYSFSA-N
MW129.12 g/mol
LogP0.15
Rot. Bonds

About (3Z)-3-hydroxyiminooxan-2-one

(3Z)-3-hydroxyiminooxan-2-one (PubChem CID 101009343) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is (3Z)-3-hydroxyiminooxan-2-one.

Molecular Properties

Compound Name(3Z)-3-hydroxyiminooxan-2-one
PubChem CID101009343
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name(3Z)-3-hydroxyiminooxan-2-one
SMILESO=C1OCCC/C1=N/O
InChIInChI=1S/C5H7NO3/c7-5-4(6-8)2-1-3-9-5/h8H,1-3H2/b6-4-
InChIKeyPCKQQGYGKHVRDM-XQRVVYSFSA-N
XLogP0.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyiminooxan-2-one?
The IUPAC name of (3Z)-3-hydroxyiminooxan-2-one (CID 101009343) is (3Z)-3-hydroxyiminooxan-2-one.
What is the SMILES notation for (3Z)-3-hydroxyiminooxan-2-one?
The canonical SMILES for (3Z)-3-hydroxyiminooxan-2-one is O=C1OCCC/C1=N/O.
What is the InChIKey of (3Z)-3-hydroxyiminooxan-2-one?
The InChIKey is PCKQQGYGKHVRDM-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H7NO3/c7-5-4(6-8)2-1-3-9-5/h8H,1-3H2/b6-4-.
What are the key properties of (3Z)-3-hydroxyiminooxan-2-one?
(3Z)-3-hydroxyiminooxan-2-one has a molecular weight of 129.12 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyiminooxan-2-one is sourced from PubChem (CID 101009343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).