4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid

C9H15NO3 — CID 130407937

IUPAC4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid
SMILESC/C(=N\O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-6(10-13)7-2-4-8(5-3-7)9(11)12/h7-8,13H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeyWRHQCNHQAVOVLS-UXBLZVDNSA-N
MW185.22 g/mol
LogP1.73
Rot. Bonds2

About 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid

4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid (PubChem CID 130407937) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid
PubChem CID130407937
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid
SMILESC/C(=N\O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-6(10-13)7-2-4-8(5-3-7)9(11)12/h7-8,13H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeyWRHQCNHQAVOVLS-UXBLZVDNSA-N
XLogP1.73
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid (CID 130407937) is 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid is C/C(=N\O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WRHQCNHQAVOVLS-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(10-13)7-2-4-8(5-3-7)9(11)12/h7-8,13H,2-5H2,1H3,(H,11,12)/b10-6+.
What are the key properties of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid?
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).