N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide

C9H11N3O2 — CID 4183850

IUPACN'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide
SMILESNC(=O)C(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C9H11N3O2/c10-8(13)9(14)12-11-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H2,10,13)(H,12,14)
InChIKeyUPPZTYBPOSKJQU-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.46
Rot. Bonds1

About N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide

N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide (PubChem CID 4183850) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide.

Molecular Properties

Compound NameN'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide
PubChem CID4183850
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide
SMILESNC(=O)C(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C9H11N3O2/c10-8(13)9(14)12-11-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H2,10,13)(H,12,14)
InChIKeyUPPZTYBPOSKJQU-UHFFFAOYSA-N
XLogP-0.46
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide
CID 3455787
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3-methylbutanamide
CID 3626824
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclopropanecarboxamide
CID 4588938
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide
CID 5155039
N,N'-bis[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]oxamide
CID 5831558
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-methylbutanamide
CID 5878998
N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]cyclopropanecarboxamide
CID 6157921
N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide
CID 6286046
N'-[(6Z)-bicyclo[3.2.0]hept-2-en-6-ylidene]-3-methylbutanehydrazide
CID 6372510
N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide
CID 6380315
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methylbutanamide
CID 40570300
N-[(E)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methylbutanamide
CID 40570302

Frequently Asked Questions

What is the IUPAC name of N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide?
The IUPAC name of N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide (CID 4183850) is N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide.
What is the SMILES notation for N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide?
The canonical SMILES for N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide is NC(=O)C(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide?
The InChIKey is UPPZTYBPOSKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(13)9(14)12-11-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H2,10,13)(H,12,14).
What are the key properties of N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide?
N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide has a molecular weight of 193.21 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bicyclo[3.2.0]hept-2-enylideneamino)oxamide is sourced from PubChem (CID 4183850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).