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

C8H11NO — CID 45084041

IUPACbicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESNC(=O)C1=CC2CCC1C2
InChIInChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,9,10)
InChIKeyIWMAIPCRUFTVTC-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.83
Rot. Bonds1

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

bicyclo[2.2.1]hept-2-ene-2-carboxamide (PubChem CID 45084041) 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-2-carboxamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-2-carboxamide
PubChem CID45084041
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESNC(=O)C1=CC2CCC1C2
InChIInChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,9,10)
InChIKeyIWMAIPCRUFTVTC-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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-2-carboxamide (CID 45084041) is bicyclo[2.2.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-2-carboxamide is NC(=O)C1=CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The InChIKey is IWMAIPCRUFTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,9,10).
What are the key properties of bicyclo[2.2.1]hept-2-ene-2-carboxamide?
bicyclo[2.2.1]hept-2-ene-2-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-2-carboxamide is sourced from PubChem (CID 45084041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).