4-ethanimidoylcyclohexane-1-carboxylic acid

C9H15NO2 — CID 123408202

IUPAC4-ethanimidoylcyclohexane-1-carboxylic acid
SMILES[H]/N=C(\C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8,10H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeySBKGLWRJGNSMCF-UXBLZVDNSA-N
MW169.22 g/mol
LogP1.92
Rot. Bonds2

About 4-ethanimidoylcyclohexane-1-carboxylic acid

4-ethanimidoylcyclohexane-1-carboxylic acid (PubChem CID 123408202) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-ethanimidoylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethanimidoylcyclohexane-1-carboxylic acid
PubChem CID123408202
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-ethanimidoylcyclohexane-1-carboxylic acid
SMILES[H]/N=C(\C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8,10H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeySBKGLWRJGNSMCF-UXBLZVDNSA-N
XLogP1.92
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethanimidoylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethanimidoylcyclohexane-1-carboxylic acid (CID 123408202) is 4-ethanimidoylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethanimidoylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethanimidoylcyclohexane-1-carboxylic acid is [H]/N=C(\C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-ethanimidoylcyclohexane-1-carboxylic acid?
The InChIKey is SBKGLWRJGNSMCF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8,10H,2-5H2,1H3,(H,11,12)/b10-6+.
What are the key properties of 4-ethanimidoylcyclohexane-1-carboxylic acid?
4-ethanimidoylcyclohexane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 123408202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).