3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide

C7H10N2O2 — CID 17039482

IUPAC3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1C2C=CC(O2)C1N
InChIInChI=1S/C7H10N2O2/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H2,9,10)
InChIKeyTTWXSENPKHNTJG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.25
Rot. Bonds1

About 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide

3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 17039482) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID17039482
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1C2C=CC(O2)C1N
InChIInChI=1S/C7H10N2O2/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H2,9,10)
InChIKeyTTWXSENPKHNTJG-UHFFFAOYSA-N
XLogP-1.25
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 17039482) is 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(=O)C1C2C=CC(O2)C1N.
What is the InChIKey of 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is TTWXSENPKHNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H2,9,10).
What are the key properties of 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 17039482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).