[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea

C8H11N3O — CID 5383418

IUPAC[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea
SMILESNC(=O)N/N=C1/CC2C=CCC12
InChIInChI=1S/C8H11N3O/c9-8(12)11-10-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H3,9,11,12)/b10-7-
InChIKeyHKGVZQYBLDKGPG-YFHOEESVSA-N
MW165.20 g/mol
LogP0.61
Rot. Bonds1

About [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea

[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea (PubChem CID 5383418) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea.

Molecular Properties

Compound Name[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea
PubChem CID5383418
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea
SMILESNC(=O)N/N=C1/CC2C=CCC12
InChIInChI=1S/C8H11N3O/c9-8(12)11-10-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H3,9,11,12)/b10-7-
InChIKeyHKGVZQYBLDKGPG-YFHOEESVSA-N
XLogP0.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea?
The IUPAC name of [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea (CID 5383418) is [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea.
What is the SMILES notation for [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea?
The canonical SMILES for [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea is NC(=O)N/N=C1/CC2C=CCC12.
What is the InChIKey of [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea?
The InChIKey is HKGVZQYBLDKGPG-YFHOEESVSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(12)11-10-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H3,9,11,12)/b10-7-.
What are the key properties of [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea?
[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea has a molecular weight of 165.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea is sourced from PubChem (CID 5383418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).