7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide

C10H16N2O — CID 58123602

IUPAC7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide
SMILESNC(=O)N1CCC2C=CCCC1C2
InChIInChI=1S/C10H16N2O/c11-10(13)12-6-5-8-3-1-2-4-9(12)7-8/h1,3,8-9H,2,4-7H2,(H2,11,13)
InChIKeyVFBRNUXZUZYNLV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.50
Rot. Bonds

About 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide

7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide (PubChem CID 58123602) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide.

Molecular Properties

Compound Name7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide
PubChem CID58123602
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide
SMILESNC(=O)N1CCC2C=CCCC1C2
InChIInChI=1S/C10H16N2O/c11-10(13)12-6-5-8-3-1-2-4-9(12)7-8/h1,3,8-9H,2,4-7H2,(H2,11,13)
InChIKeyVFBRNUXZUZYNLV-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.50
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 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide?
The IUPAC name of 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide (CID 58123602) is 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide.
What is the SMILES notation for 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide?
The canonical SMILES for 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide is NC(=O)N1CCC2C=CCCC1C2.
What is the InChIKey of 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide?
The InChIKey is VFBRNUXZUZYNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-10(13)12-6-5-8-3-1-2-4-9(12)7-8/h1,3,8-9H,2,4-7H2,(H2,11,13).
What are the key properties of 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide?
7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.3.1]dec-2-ene-7-carboxamide is sourced from PubChem (CID 58123602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).