methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate

C10H15NO3 — CID 98469608

IUPACmethyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1C[C@H]2CC[C@H](C1)C2=NO
InChIInChI=1S/C10H15NO3/c1-14-10(12)8-4-6-2-3-7(5-8)9(6)11-13/h6-8,13H,2-5H2,1H3/b11-9-/t6-,7-,8?/m1/s1
InChIKeyPOUPRTLZTAPIQQ-QUBGMVHJSA-N
MW197.23 g/mol
LogP1.43
Rot. Bonds1

About methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate

methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate (PubChem CID 98469608) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate
PubChem CID98469608
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1C[C@H]2CC[C@H](C1)C2=NO
InChIInChI=1S/C10H15NO3/c1-14-10(12)8-4-6-2-3-7(5-8)9(6)11-13/h6-8,13H,2-5H2,1H3/b11-9-/t6-,7-,8?/m1/s1
InChIKeyPOUPRTLZTAPIQQ-QUBGMVHJSA-N
XLogP1.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.43
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

cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
CID 98469521
methyl 9,9-dimethoxybicyclo[3.3.1]nonane-3-carboxylate
CID 90810756
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
methyl 7-tert-butyl-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 56689736
methyl 2-[[(1S,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156200
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate (CID 98469608) is methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate is COC(=O)C1C[C@H]2CC[C@H](C1)C2=NO.
What is the InChIKey of methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is POUPRTLZTAPIQQ-QUBGMVHJSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(12)8-4-6-2-3-7(5-8)9(6)11-13/h6-8,13H,2-5H2,1H3/b11-9-/t6-,7-,8?/m1/s1.
What are the key properties of methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate?
methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 98469608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).