3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione

C6H9NO3 — CID 88691074

IUPAC3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione
SMILESCC(=O)C(/C=N\O)C(C)=O
InChIInChI=1S/C6H9NO3/c1-4(8)6(3-7-10)5(2)9/h3,6,10H,1-2H3/b7-3-
InChIKeyLSVZBXRINCWMTR-CLTKARDFSA-N
MW143.14 g/mol
LogP0.24
Rot. Bonds3

About 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione

3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione (PubChem CID 88691074) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione
PubChem CID88691074
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione
SMILESCC(=O)C(/C=N\O)C(C)=O
InChIInChI=1S/C6H9NO3/c1-4(8)6(3-7-10)5(2)9/h3,6,10H,1-2H3/b7-3-
InChIKeyLSVZBXRINCWMTR-CLTKARDFSA-N
XLogP0.24
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione?
The IUPAC name of 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione (CID 88691074) is 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione.
What is the SMILES notation for 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione?
The canonical SMILES for 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione is CC(=O)C(/C=N\O)C(C)=O.
What is the InChIKey of 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione?
The InChIKey is LSVZBXRINCWMTR-CLTKARDFSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)6(3-7-10)5(2)9/h3,6,10H,1-2H3/b7-3-.
What are the key properties of 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione?
3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione has a molecular weight of 143.14 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hydroxyiminomethyl]pentane-2,4-dione is sourced from PubChem (CID 88691074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).