4-methoxyiminohex-2-enamide

C7H12N2O2 — CID 141284520

IUPAC4-methoxyiminohex-2-enamide
SMILESCCC(C=CC(N)=O)=NOC
InChIInChI=1S/C7H12N2O2/c1-3-6(9-11-2)4-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)
InChIKeyKHNMOHQIJQKLNZ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.44
Rot. Bonds4

About 4-methoxyiminohex-2-enamide

4-methoxyiminohex-2-enamide (PubChem CID 141284520) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-methoxyiminohex-2-enamide.

Molecular Properties

Compound Name4-methoxyiminohex-2-enamide
PubChem CID141284520
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-methoxyiminohex-2-enamide
SMILESCCC(C=CC(N)=O)=NOC
InChIInChI=1S/C7H12N2O2/c1-3-6(9-11-2)4-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)
InChIKeyKHNMOHQIJQKLNZ-UHFFFAOYSA-N
XLogP0.44
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 4-methoxyiminohex-2-enamide?
The IUPAC name of 4-methoxyiminohex-2-enamide (CID 141284520) is 4-methoxyiminohex-2-enamide.
What is the SMILES notation for 4-methoxyiminohex-2-enamide?
The canonical SMILES for 4-methoxyiminohex-2-enamide is CCC(C=CC(N)=O)=NOC.
What is the InChIKey of 4-methoxyiminohex-2-enamide?
The InChIKey is KHNMOHQIJQKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-6(9-11-2)4-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10).
What are the key properties of 4-methoxyiminohex-2-enamide?
4-methoxyiminohex-2-enamide has a molecular weight of 156.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyiminohex-2-enamide is sourced from PubChem (CID 141284520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).