[(4Z)-4-methoxyiminopentyl] acetate

C8H15NO3 — CID 89243537

IUPAC[(4Z)-4-methoxyiminopentyl] acetate
SMILESCO/N=C(/C)CCCOC(C)=O
InChIInChI=1S/C8H15NO3/c1-7(9-11-3)5-4-6-12-8(2)10/h4-6H2,1-3H3/b9-7-
InChIKeySXIPSDNMGYLSJD-CLFYSBASSA-N
MW173.21 g/mol
LogP1.35
Rot. Bonds5

About [(4Z)-4-methoxyiminopentyl] acetate

[(4Z)-4-methoxyiminopentyl] acetate (PubChem CID 89243537) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(4Z)-4-methoxyiminopentyl] acetate.

Molecular Properties

Compound Name[(4Z)-4-methoxyiminopentyl] acetate
PubChem CID89243537
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(4Z)-4-methoxyiminopentyl] acetate
SMILESCO/N=C(/C)CCCOC(C)=O
InChIInChI=1S/C8H15NO3/c1-7(9-11-3)5-4-6-12-8(2)10/h4-6H2,1-3H3/b9-7-
InChIKeySXIPSDNMGYLSJD-CLFYSBASSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 [(4Z)-4-methoxyiminopentyl] acetate?
The IUPAC name of [(4Z)-4-methoxyiminopentyl] acetate (CID 89243537) is [(4Z)-4-methoxyiminopentyl] acetate.
What is the SMILES notation for [(4Z)-4-methoxyiminopentyl] acetate?
The canonical SMILES for [(4Z)-4-methoxyiminopentyl] acetate is CO/N=C(/C)CCCOC(C)=O.
What is the InChIKey of [(4Z)-4-methoxyiminopentyl] acetate?
The InChIKey is SXIPSDNMGYLSJD-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(9-11-3)5-4-6-12-8(2)10/h4-6H2,1-3H3/b9-7-.
What are the key properties of [(4Z)-4-methoxyiminopentyl] acetate?
[(4Z)-4-methoxyiminopentyl] acetate has a molecular weight of 173.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-methoxyiminopentyl] acetate is sourced from PubChem (CID 89243537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).