(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid

C9H13NO3 — CID 102568381

IUPAC(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCO/N=C1\CC2CCC1(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c1-13-10-7-4-6-2-3-9(7,5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+
InChIKeyLZOHEIJOHJIBDT-JXMROGBWSA-N
MW183.21 g/mol
LogP1.26
Rot. Bonds2

About (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid

(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 102568381) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID102568381
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCO/N=C1\CC2CCC1(C(=O)O)C2
InChIInChI=1S/C9H13NO3/c1-13-10-7-4-6-2-3-9(7,5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+
InChIKeyLZOHEIJOHJIBDT-JXMROGBWSA-N
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2Z,4R)-2-hydrazinylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 99990943
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CID 23294898
(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid
CID 102568719
(1S,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 50897820
(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 141174149
(1S,5R)-3-methoxycarbonylbicyclo[3.2.1]octane-3-carboxylic acid
CID 165478572
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479
(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792
1-methoxy-4,4-dimethylcyclohexane-1-carboxylic acid
CID 83225553
10-methoxyimino-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
CID 75072023
3-hydroxy-2-oxoadamantane-1-carboxylic acid
CID 141432204
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid (CID 102568381) is (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid is CO/N=C1\CC2CCC1(C(=O)O)C2.
What is the InChIKey of (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is LZOHEIJOHJIBDT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-10-7-4-6-2-3-9(7,5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+.
What are the key properties of (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid?
(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 102568381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).