lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate

C9H14LiNO3 — CID 23717149

IUPAClithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate
SMILESO=C([O-])/C(CC1CCCCC1)=N\O.[Li+]
InChIInChI=1S/C9H15NO3.Li/c11-9(12)8(10-13)6-7-4-2-1-3-5-7;/h7,13H,1-6H2,(H,11,12);/q;+1/p-1/b10-8-;
InChIKeyHYWOHXBHGBQWGC-DQMXGCRQSA-M
MW191.16 g/mol
LogP-2.46
Rot. Bonds3

About lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate

lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate (PubChem CID 23717149) has the molecular formula C9H14LiNO3 and a molecular weight of 191.16 g/mol. Its IUPAC name is lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate.

Molecular Properties

Compound Namelithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate
PubChem CID23717149
Molecular FormulaC9H14LiNO3
Molecular Weight191.16 g/mol
Exact Mass191.11
IUPAC Namelithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate
SMILESO=C([O-])/C(CC1CCCCC1)=N\O.[Li+]
InChIInChI=1S/C9H15NO3.Li/c11-9(12)8(10-13)6-7-4-2-1-3-5-7;/h7,13H,1-6H2,(H,11,12);/q;+1/p-1/b10-8-;
InChIKeyHYWOHXBHGBQWGC-DQMXGCRQSA-M
XLogP-2.46
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
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
cyclohexanone O-(cyclohexylcarbonyl)oxime
CID 4948327
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
cycloheptanone O-cyclohexylcarbonyloxime
CID 129750357
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611517
4-(Hydroxyimino)cyclohexane-1-carboxylic acid
CID 21569312
sodium (2Z)-7-cyclobutyl-2-hydroxyiminoheptanoate
CID 23717148

Frequently Asked Questions

What is the IUPAC name of lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate?
The IUPAC name of lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate (CID 23717149) is lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate.
What is the SMILES notation for lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate?
The canonical SMILES for lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate is O=C([O-])/C(CC1CCCCC1)=N\O.[Li+].
What is the InChIKey of lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate?
The InChIKey is HYWOHXBHGBQWGC-DQMXGCRQSA-M. The full InChI is InChI=1S/C9H15NO3.Li/c11-9(12)8(10-13)6-7-4-2-1-3-5-7;/h7,13H,1-6H2,(H,11,12);/q;+1/p-1/b10-8-;.
What are the key properties of lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate?
lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate has a molecular weight of 191.16 g/mol, XLogP of -2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate is sourced from PubChem (CID 23717149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).