N-(hydroxyiminomethyl)-3-oxopent-4-enamide

C6H8N2O3 — CID 137193135

IUPACN-(hydroxyiminomethyl)-3-oxopent-4-enamide
SMILESC=CC(=O)CC(=O)NC=NO
InChIInChI=1S/C6H8N2O3/c1-2-5(9)3-6(10)7-4-8-11/h2,4,11H,1,3H2,(H,7,8,10)
InChIKeyZLIRILQBOWADGE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.33
Rot. Bonds4

About N-(hydroxyiminomethyl)-3-oxopent-4-enamide

N-(hydroxyiminomethyl)-3-oxopent-4-enamide (PubChem CID 137193135) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-(hydroxyiminomethyl)-3-oxopent-4-enamide.

Molecular Properties

Compound NameN-(hydroxyiminomethyl)-3-oxopent-4-enamide
PubChem CID137193135
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-(hydroxyiminomethyl)-3-oxopent-4-enamide
SMILESC=CC(=O)CC(=O)NC=NO
InChIInChI=1S/C6H8N2O3/c1-2-5(9)3-6(10)7-4-8-11/h2,4,11H,1,3H2,(H,7,8,10)
InChIKeyZLIRILQBOWADGE-UHFFFAOYSA-N
XLogP-0.33
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxyiminomethyl)-3-oxopent-4-enamide?
The IUPAC name of N-(hydroxyiminomethyl)-3-oxopent-4-enamide (CID 137193135) is N-(hydroxyiminomethyl)-3-oxopent-4-enamide.
What is the SMILES notation for N-(hydroxyiminomethyl)-3-oxopent-4-enamide?
The canonical SMILES for N-(hydroxyiminomethyl)-3-oxopent-4-enamide is C=CC(=O)CC(=O)NC=NO.
What is the InChIKey of N-(hydroxyiminomethyl)-3-oxopent-4-enamide?
The InChIKey is ZLIRILQBOWADGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-5(9)3-6(10)7-4-8-11/h2,4,11H,1,3H2,(H,7,8,10).
What are the key properties of N-(hydroxyiminomethyl)-3-oxopent-4-enamide?
N-(hydroxyiminomethyl)-3-oxopent-4-enamide has a molecular weight of 156.14 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxyiminomethyl)-3-oxopent-4-enamide is sourced from PubChem (CID 137193135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).