4-(Hydroxyimino)cyclohexane-1-carboxylic acid

C7H11NO3 — CID 21569312

IUPAC4-hydroxyiminocyclohexane-1-carboxylic acid
SMILESC1CC(=NO)CCC1C(=O)O
InChIInChI=1S/C7H11NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h5,11H,1-4H2,(H,9,10)
InChIKeyYGGSWHOOXUQDME-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.20
Rot. Bonds1

About 4-(Hydroxyimino)cyclohexane-1-carboxylic acid

4-(Hydroxyimino)cyclohexane-1-carboxylic acid (PubChem CID 21569312) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-hydroxyiminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(Hydroxyimino)cyclohexane-1-carboxylic acid
PubChem CID21569312
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-hydroxyiminocyclohexane-1-carboxylic acid
SMILESC1CC(=NO)CCC1C(=O)O
InChIInChI=1S/C7H11NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h5,11H,1-4H2,(H,9,10)
InChIKeyYGGSWHOOXUQDME-UHFFFAOYSA-N
XLogP0.20
TPSA69.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
Cyclohexanecarboxylic acid, 3,4-bis(hydroxyimino)-
CID 137229449
Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
2-Iminocyclohexane-1-carboxylic acid
CID 57150153
cyclohexanone O-(cyclohexylcarbonyl)oxime
CID 4948327
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
cycloheptanone O-cyclohexylcarbonyloxime
CID 129750357
4-Carboxycyclohexylidene imine
CID 129846521
Cyclopentanecarboxylicacid, 3-(hydroxyimino)-
CID 239216
(9E)-9-hydroxyimino-11-methyldodecanoic acid
CID 9964800

Frequently Asked Questions

What is the IUPAC name of 4-(Hydroxyimino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(Hydroxyimino)cyclohexane-1-carboxylic acid (CID 21569312) is 4-hydroxyiminocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(Hydroxyimino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(Hydroxyimino)cyclohexane-1-carboxylic acid is C1CC(=NO)CCC1C(=O)O.
What is the InChIKey of 4-(Hydroxyimino)cyclohexane-1-carboxylic acid?
The InChIKey is YGGSWHOOXUQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h5,11H,1-4H2,(H,9,10).
What are the key properties of 4-(Hydroxyimino)cyclohexane-1-carboxylic acid?
4-(Hydroxyimino)cyclohexane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Hydroxyimino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 21569312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).