[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea

C10H17N3O — CID 5464797

IUPAC[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea
SMILESCC1CCC/C(=N/NC(N)=O)C12CC2
InChIInChI=1S/C10H17N3O/c1-7-3-2-4-8(10(7)5-6-10)12-13-9(11)14/h7H,2-6H2,1H3,(H3,11,13,14)/b12-8-
InChIKeyKYMJGPIRJMHZOU-WQLSENKSSA-N
MW195.27 g/mol
LogP1.61
Rot. Bonds1

About [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea

[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea (PubChem CID 5464797) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea
PubChem CID5464797
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea
SMILESCC1CCC/C(=N/NC(N)=O)C12CC2
InChIInChI=1S/C10H17N3O/c1-7-3-2-4-8(10(7)5-6-10)12-13-9(11)14/h7H,2-6H2,1H3,(H3,11,13,14)/b12-8-
InChIKeyKYMJGPIRJMHZOU-WQLSENKSSA-N
XLogP1.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.61
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)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea?
The IUPAC name of [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea (CID 5464797) is [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea.
What is the SMILES notation for [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea?
The canonical SMILES for [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea is CC1CCC/C(=N/NC(N)=O)C12CC2.
What is the InChIKey of [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea?
The InChIKey is KYMJGPIRJMHZOU-WQLSENKSSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-3-2-4-8(10(7)5-6-10)12-13-9(11)14/h7H,2-6H2,1H3,(H3,11,13,14)/b12-8-.
What are the key properties of [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea?
[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea is sourced from PubChem (CID 5464797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).