[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea

C10H17N3O — CID 6241531

IUPAC[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)C1CC2CCC1C2
InChIInChI=1S/C10H17N3O/c1-6(12-13-10(11)14)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3,(H3,11,13,14)/b12-6-
InChIKeyXTBQFSJDSLVCBZ-SDQBBNPISA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds2

About [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea

[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea (PubChem CID 6241531) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea
PubChem CID6241531
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)C1CC2CCC1C2
InChIInChI=1S/C10H17N3O/c1-6(12-13-10(11)14)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3,(H3,11,13,14)/b12-6-
InChIKeyXTBQFSJDSLVCBZ-SDQBBNPISA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea (CID 6241531) is [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea is C/C(=N/NC(N)=O)C1CC2CCC1C2.
What is the InChIKey of [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea?
The InChIKey is XTBQFSJDSLVCBZ-SDQBBNPISA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(12-13-10(11)14)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3,(H3,11,13,14)/b12-6-.
What are the key properties of [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea?
[(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]urea is sourced from PubChem (CID 6241531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).