2-(methoxyiminomethyl)cyclohexane-1,3-dione

C8H11NO3 — CID 2764713

IUPAC2-(methoxyiminomethyl)cyclohexane-1,3-dione
SMILESCON=CC1C(=O)CCCC1=O
InChIInChI=1S/C8H11NO3/c1-12-9-5-6-7(10)3-2-4-8(6)11/h5-6H,2-4H2,1H3
InChIKeyIVCRHSNQGPSVBX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.56
Rot. Bonds2

About 2-(methoxyiminomethyl)cyclohexane-1,3-dione

2-(methoxyiminomethyl)cyclohexane-1,3-dione (PubChem CID 2764713) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(methoxyiminomethyl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(methoxyiminomethyl)cyclohexane-1,3-dione
PubChem CID2764713
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(methoxyiminomethyl)cyclohexane-1,3-dione
SMILESCON=CC1C(=O)CCCC1=O
InChIInChI=1S/C8H11NO3/c1-12-9-5-6-7(10)3-2-4-8(6)11/h5-6H,2-4H2,1H3
InChIKeyIVCRHSNQGPSVBX-UHFFFAOYSA-N
XLogP0.56
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxyiminomethyl)cyclohexane-1,3-dione?
The IUPAC name of 2-(methoxyiminomethyl)cyclohexane-1,3-dione (CID 2764713) is 2-(methoxyiminomethyl)cyclohexane-1,3-dione.
What is the SMILES notation for 2-(methoxyiminomethyl)cyclohexane-1,3-dione?
The canonical SMILES for 2-(methoxyiminomethyl)cyclohexane-1,3-dione is CON=CC1C(=O)CCCC1=O.
What is the InChIKey of 2-(methoxyiminomethyl)cyclohexane-1,3-dione?
The InChIKey is IVCRHSNQGPSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-9-5-6-7(10)3-2-4-8(6)11/h5-6H,2-4H2,1H3.
What are the key properties of 2-(methoxyiminomethyl)cyclohexane-1,3-dione?
2-(methoxyiminomethyl)cyclohexane-1,3-dione has a molecular weight of 169.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyiminomethyl)cyclohexane-1,3-dione is sourced from PubChem (CID 2764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).