bicyclo[2.2.1]hept-2-ene-1-carboxamide

C8H11NO — CID 19808076

IUPACbicyclo[2.2.1]hept-2-ene-1-carboxamide
SMILESNC(=O)C12C=CC(CC1)C2
InChIInChI=1S/C8H11NO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H2,9,10)
InChIKeyVMJGNWWGAXVEOP-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.83
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene-1-carboxamide

bicyclo[2.2.1]hept-2-ene-1-carboxamide (PubChem CID 19808076) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-1-carboxamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-1-carboxamide
PubChem CID19808076
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebicyclo[2.2.1]hept-2-ene-1-carboxamide
SMILESNC(=O)C12C=CC(CC1)C2
InChIInChI=1S/C8H11NO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H2,9,10)
InChIKeyVMJGNWWGAXVEOP-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 bicyclo[2.2.1]hept-2-ene-1-carboxamide?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carboxamide (CID 19808076) is bicyclo[2.2.1]hept-2-ene-1-carboxamide.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-1-carboxamide?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-1-carboxamide is NC(=O)C12C=CC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-1-carboxamide?
The InChIKey is VMJGNWWGAXVEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H2,9,10).
What are the key properties of bicyclo[2.2.1]hept-2-ene-1-carboxamide?
bicyclo[2.2.1]hept-2-ene-1-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene-1-carboxamide is sourced from PubChem (CID 19808076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).