(4E)-4-hydroxyimino-N-methylpentanamide

C6H12N2O2 — CID 55286829

IUPAC(4E)-4-hydroxyimino-N-methylpentanamide
SMILESCNC(=O)CC/C(C)=N/O
InChIInChI=1S/C6H12N2O2/c1-5(8-10)3-4-6(9)7-2/h10H,3-4H2,1-2H3,(H,7,9)/b8-5+
InChIKeyLSRSEVCTRBSAEQ-VMPITWQZSA-N
MW144.17 g/mol
LogP0.36
Rot. Bonds3

About (4E)-4-hydroxyimino-N-methylpentanamide

(4E)-4-hydroxyimino-N-methylpentanamide (PubChem CID 55286829) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-N-methylpentanamide.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-N-methylpentanamide
PubChem CID55286829
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4E)-4-hydroxyimino-N-methylpentanamide
SMILESCNC(=O)CC/C(C)=N/O
InChIInChI=1S/C6H12N2O2/c1-5(8-10)3-4-6(9)7-2/h10H,3-4H2,1-2H3,(H,7,9)/b8-5+
InChIKeyLSRSEVCTRBSAEQ-VMPITWQZSA-N
XLogP0.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4E)-4-hydroxyimino-N-methylpentanamide?
The IUPAC name of (4E)-4-hydroxyimino-N-methylpentanamide (CID 55286829) is (4E)-4-hydroxyimino-N-methylpentanamide.
What is the SMILES notation for (4E)-4-hydroxyimino-N-methylpentanamide?
The canonical SMILES for (4E)-4-hydroxyimino-N-methylpentanamide is CNC(=O)CC/C(C)=N/O.
What is the InChIKey of (4E)-4-hydroxyimino-N-methylpentanamide?
The InChIKey is LSRSEVCTRBSAEQ-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(8-10)3-4-6(9)7-2/h10H,3-4H2,1-2H3,(H,7,9)/b8-5+.
What are the key properties of (4E)-4-hydroxyimino-N-methylpentanamide?
(4E)-4-hydroxyimino-N-methylpentanamide has a molecular weight of 144.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-N-methylpentanamide is sourced from PubChem (CID 55286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).