(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one

C8H12N2O3 — CID 88532060

IUPAC(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one
SMILESCO/N=C1/CCCC(=O)/C1=N\OC
InChIInChI=1S/C8H12N2O3/c1-12-9-6-4-3-5-7(11)8(6)10-13-2/h3-5H2,1-2H3/b9-6-,10-8-
InChIKeyYIJYGIPAKVLUHK-PTKGMRGESA-N
MW184.19 g/mol
LogP0.74
Rot. Bonds2

About (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one

(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one (PubChem CID 88532060) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one
PubChem CID88532060
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one
SMILESCO/N=C1/CCCC(=O)/C1=N\OC
InChIInChI=1S/C8H12N2O3/c1-12-9-6-4-3-5-7(11)8(6)10-13-2/h3-5H2,1-2H3/b9-6-,10-8-
InChIKeyYIJYGIPAKVLUHK-PTKGMRGESA-N
XLogP0.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one?
The IUPAC name of (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one (CID 88532060) is (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one.
What is the SMILES notation for (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one?
The canonical SMILES for (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one is CO/N=C1/CCCC(=O)/C1=N\OC.
What is the InChIKey of (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one?
The InChIKey is YIJYGIPAKVLUHK-PTKGMRGESA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-9-6-4-3-5-7(11)8(6)10-13-2/h3-5H2,1-2H3/b9-6-,10-8-.
What are the key properties of (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one?
(2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one has a molecular weight of 184.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2,3-bis(methoxyimino)cyclohexan-1-one is sourced from PubChem (CID 88532060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).