2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide

C8H12N2O — CID 58123824

IUPAC2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide
SMILESNC(=O)N1CCC2C=CC1C2
InChIInChI=1S/C8H12N2O/c9-8(11)10-4-3-6-1-2-7(10)5-6/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyJXYBWAYRUNFOIP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.72
Rot. Bonds

About 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide

2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide (PubChem CID 58123824) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide.

Molecular Properties

Compound Name2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide
PubChem CID58123824
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide
SMILESNC(=O)N1CCC2C=CC1C2
InChIInChI=1S/C8H12N2O/c9-8(11)10-4-3-6-1-2-7(10)5-6/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyJXYBWAYRUNFOIP-UHFFFAOYSA-N
XLogP0.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.72
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 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide?
The IUPAC name of 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide (CID 58123824) is 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide.
What is the SMILES notation for 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide?
The canonical SMILES for 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide is NC(=O)N1CCC2C=CC1C2.
What is the InChIKey of 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide?
The InChIKey is JXYBWAYRUNFOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)10-4-3-6-1-2-7(10)5-6/h1-2,6-7H,3-5H2,(H2,9,11).
What are the key properties of 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide?
2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.1]oct-6-ene-2-carboxamide is sourced from PubChem (CID 58123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).