2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde

C10H14N2O2 — CID 18683554

IUPAC2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde
SMILESO=C/C=N/C1CCC(/N=C/C=O)CC1
InChIInChI=1S/C10H14N2O2/c13-7-5-11-9-1-2-10(4-3-9)12-6-8-14/h5-10H,1-4H2/b11-5+,12-6+
InChIKeyWAQYHAJAYBUJOH-YDWXAUTNSA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde

2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde (PubChem CID 18683554) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde
PubChem CID18683554
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde
SMILESO=C/C=N/C1CCC(/N=C/C=O)CC1
InChIInChI=1S/C10H14N2O2/c13-7-5-11-9-1-2-10(4-3-9)12-6-8-14/h5-10H,1-4H2/b11-5+,12-6+
InChIKeyWAQYHAJAYBUJOH-YDWXAUTNSA-N
XLogP0.84
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde?
The IUPAC name of 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde (CID 18683554) is 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde.
What is the SMILES notation for 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde?
The canonical SMILES for 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde is O=C/C=N/C1CCC(/N=C/C=O)CC1.
What is the InChIKey of 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde?
The InChIKey is WAQYHAJAYBUJOH-YDWXAUTNSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-7-5-11-9-1-2-10(4-3-9)12-6-8-14/h5-10H,1-4H2/b11-5+,12-6+.
What are the key properties of 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde?
2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxoethylideneamino)cyclohexyl]iminoacetaldehyde is sourced from PubChem (CID 18683554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).