7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide

C7H8N2O2 — CID 175197598

IUPAC7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide
SMILESNC(=O)C1C=CN2C(=O)CC12
InChIInChI=1S/C7H8N2O2/c8-7(11)4-1-2-9-5(4)3-6(9)10/h1-2,4-5H,3H2,(H2,8,11)
InChIKeyJAOZJNYYTWBXMF-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.78
Rot. Bonds1

About 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide

7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide (PubChem CID 175197598) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide.

Molecular Properties

Compound Name7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide
PubChem CID175197598
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide
SMILESNC(=O)C1C=CN2C(=O)CC12
InChIInChI=1S/C7H8N2O2/c8-7(11)4-1-2-9-5(4)3-6(9)10/h1-2,4-5H,3H2,(H2,8,11)
InChIKeyJAOZJNYYTWBXMF-UHFFFAOYSA-N
XLogP-0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 175222359
(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide
CID 139788316
(5S)-4-(oxolan-3-yl)-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 154422941
3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486047
(6S)-5-(aminomethyl)-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 155749033
(6S)-5-chloro-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 151918156
(5S)-4-(phenoxymethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 139916035
(4S,6S)-4-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 54504629
4-oxoazetidine-1,2-dicarboxamide
CID 135154151
prop-2-enyl (6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylate
CID 174346682
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208

Frequently Asked Questions

What is the IUPAC name of 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide?
The IUPAC name of 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide (CID 175197598) is 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide.
What is the SMILES notation for 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide?
The canonical SMILES for 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide is NC(=O)C1C=CN2C(=O)CC12.
What is the InChIKey of 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide?
The InChIKey is JAOZJNYYTWBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(11)4-1-2-9-5(4)3-6(9)10/h1-2,4-5H,3H2,(H2,8,11).
What are the key properties of 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide?
7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide has a molecular weight of 152.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide is sourced from PubChem (CID 175197598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).