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

C9H11N3O2 — CID 6380315

IUPACN'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C1/CC2C=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)/b11-7-
InChIKeyUPPZTYBPOSKJQU-XFFZJAGNSA-N
MW193.21 g/mol
LogP-0.46
Rot. Bonds1

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

N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide (PubChem CID 6380315) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide
PubChem CID6380315
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C1/CC2C=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)/b11-7-
InChIKeyUPPZTYBPOSKJQU-XFFZJAGNSA-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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide?
The IUPAC name of N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide (CID 6380315) is N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide is NC(=O)C(=O)N/N=C1/CC2C=CCC12.
What is the InChIKey of N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide?
The InChIKey is UPPZTYBPOSKJQU-XFFZJAGNSA-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)/b11-7-.
What are the key properties of N'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide?
N'-[(Z)-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'-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]oxamide is sourced from PubChem (CID 6380315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).