4-(2-hydroxycyclohexyl)iminopentan-2-one

C11H19NO2 — CID 139752187

IUPAC4-(2-hydroxycyclohexyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/C1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h10-11,14H,3-7H2,1-2H3/b12-8+
InChIKeyIRPXVLYBXLQBTG-XYOKQWHBSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds3

About 4-(2-hydroxycyclohexyl)iminopentan-2-one

4-(2-hydroxycyclohexyl)iminopentan-2-one (PubChem CID 139752187) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-hydroxycyclohexyl)iminopentan-2-one.

Molecular Properties

Compound Name4-(2-hydroxycyclohexyl)iminopentan-2-one
PubChem CID139752187
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(2-hydroxycyclohexyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/C1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h10-11,14H,3-7H2,1-2H3/b12-8+
InChIKeyIRPXVLYBXLQBTG-XYOKQWHBSA-N
XLogP1.73
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxycyclohexyl)iminopentan-2-one?
The IUPAC name of 4-(2-hydroxycyclohexyl)iminopentan-2-one (CID 139752187) is 4-(2-hydroxycyclohexyl)iminopentan-2-one.
What is the SMILES notation for 4-(2-hydroxycyclohexyl)iminopentan-2-one?
The canonical SMILES for 4-(2-hydroxycyclohexyl)iminopentan-2-one is CC(=O)C/C(C)=N/C1CCCCC1O.
What is the InChIKey of 4-(2-hydroxycyclohexyl)iminopentan-2-one?
The InChIKey is IRPXVLYBXLQBTG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h10-11,14H,3-7H2,1-2H3/b12-8+.
What are the key properties of 4-(2-hydroxycyclohexyl)iminopentan-2-one?
4-(2-hydroxycyclohexyl)iminopentan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxycyclohexyl)iminopentan-2-one is sourced from PubChem (CID 139752187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).