4-(methylaminooxy)cyclohexane-1-carbaldehyde

C8H15NO2 — CID 142922520

IUPAC4-(methylaminooxy)cyclohexane-1-carbaldehyde
SMILESCNOC1CCC(C=O)CC1
InChIInChI=1S/C8H15NO2/c1-9-11-8-4-2-7(6-10)3-5-8/h6-9H,2-5H2,1H3
InChIKeyZQSUHVSMXPKLRK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.90
Rot. Bonds3

About 4-(methylaminooxy)cyclohexane-1-carbaldehyde

4-(methylaminooxy)cyclohexane-1-carbaldehyde (PubChem CID 142922520) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(methylaminooxy)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(methylaminooxy)cyclohexane-1-carbaldehyde
PubChem CID142922520
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(methylaminooxy)cyclohexane-1-carbaldehyde
SMILESCNOC1CCC(C=O)CC1
InChIInChI=1S/C8H15NO2/c1-9-11-8-4-2-7(6-10)3-5-8/h6-9H,2-5H2,1H3
InChIKeyZQSUHVSMXPKLRK-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(methylaminooxy)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(methylaminooxy)cyclohexane-1-carbaldehyde (CID 142922520) is 4-(methylaminooxy)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(methylaminooxy)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(methylaminooxy)cyclohexane-1-carbaldehyde is CNOC1CCC(C=O)CC1.
What is the InChIKey of 4-(methylaminooxy)cyclohexane-1-carbaldehyde?
The InChIKey is ZQSUHVSMXPKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-11-8-4-2-7(6-10)3-5-8/h6-9H,2-5H2,1H3.
What are the key properties of 4-(methylaminooxy)cyclohexane-1-carbaldehyde?
4-(methylaminooxy)cyclohexane-1-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminooxy)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 142922520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).