3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C9H11NO4 — CID 71304563

IUPAC3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NO
InChIInChI=1S/C9H11NO4/c11-8(10-14)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7,14H,3H2,(H,10,11)(H,12,13)
InChIKeyQTYSEROKLOZXDX-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.01
Rot. Bonds2

About 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 71304563) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID71304563
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NO
InChIInChI=1S/C9H11NO4/c11-8(10-14)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7,14H,3H2,(H,10,11)(H,12,13)
InChIKeyQTYSEROKLOZXDX-UHFFFAOYSA-N
XLogP0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 71304563) is 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1C2C=CC(C2)C1C(=O)NO.
What is the InChIKey of 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is QTYSEROKLOZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-8(10-14)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7,14H,3H2,(H,10,11)(H,12,13).
What are the key properties of 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxycarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 71304563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).