3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide

C7H8N2O2 — CID 15699124

IUPAC3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)N1C(=O)C2C=CC1C2
InChIInChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-4(3-5)6(9)10/h1-2,4-5H,3H2,(H2,8,11)
InChIKeyIOGSBIUCLXUHNJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.15
Rot. Bonds

About 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide

3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 15699124) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID15699124
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)N1C(=O)C2C=CC1C2
InChIInChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-4(3-5)6(9)10/h1-2,4-5H,3H2,(H2,8,11)
InChIKeyIOGSBIUCLXUHNJ-UHFFFAOYSA-N
XLogP-0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 11355578
cis-2-Acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 11378591
2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 25118430
2-Butanoyl-2-azabicyclo[2.2.1]hept-5-EN-3-one
CID 22673285
(4S)-2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 135081040
(+/-)-2-Propionyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 22673281
(+)-2-Isobutyryl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 22673287
(1R,4R)-2-acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 45085798
(1R,4S)-2-acetyl-2-azabicyclo[2.2.1]Heptan-5-en-3-one
CID 55250602
CID 59099999
CID 59099999
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 156838741
2-Ethenyl-5-oxopyrrolidine-1-carboxamide
CID 168866271

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 15699124) is 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(=O)N1C(=O)C2C=CC1C2.
What is the InChIKey of 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IOGSBIUCLXUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-4(3-5)6(9)10/h1-2,4-5H,3H2,(H2,8,11).
What are the key properties of 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 152.15 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 15699124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).