[(E)-spiro[5.5]undecan-5-ylideneamino]urea

C12H21N3O — CID 6372299

IUPAC[(E)-spiro[5.5]undecan-5-ylideneamino]urea
SMILESNC(=O)N/N=C1\CCCCC12CCCCC2
InChIInChI=1S/C12H21N3O/c13-11(16)15-14-10-6-2-5-9-12(10)7-3-1-4-8-12/h1-9H2,(H3,13,15,16)/b14-10+
InChIKeyVCZAXHJSCYLECN-GXDHUFHOSA-N
MW223.32 g/mol
LogP2.54
Rot. Bonds1

About [(E)-spiro[5.5]undecan-5-ylideneamino]urea

[(E)-spiro[5.5]undecan-5-ylideneamino]urea (PubChem CID 6372299) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [(E)-spiro[5.5]undecan-5-ylideneamino]urea.

Molecular Properties

Compound Name[(E)-spiro[5.5]undecan-5-ylideneamino]urea
PubChem CID6372299
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[(E)-spiro[5.5]undecan-5-ylideneamino]urea
SMILESNC(=O)N/N=C1\CCCCC12CCCCC2
InChIInChI=1S/C12H21N3O/c13-11(16)15-14-10-6-2-5-9-12(10)7-3-1-4-8-12/h1-9H2,(H3,13,15,16)/b14-10+
InChIKeyVCZAXHJSCYLECN-GXDHUFHOSA-N
XLogP2.54
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.54
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 [(E)-spiro[5.5]undecan-5-ylideneamino]urea?
The IUPAC name of [(E)-spiro[5.5]undecan-5-ylideneamino]urea (CID 6372299) is [(E)-spiro[5.5]undecan-5-ylideneamino]urea.
What is the SMILES notation for [(E)-spiro[5.5]undecan-5-ylideneamino]urea?
The canonical SMILES for [(E)-spiro[5.5]undecan-5-ylideneamino]urea is NC(=O)N/N=C1\CCCCC12CCCCC2.
What is the InChIKey of [(E)-spiro[5.5]undecan-5-ylideneamino]urea?
The InChIKey is VCZAXHJSCYLECN-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H21N3O/c13-11(16)15-14-10-6-2-5-9-12(10)7-3-1-4-8-12/h1-9H2,(H3,13,15,16)/b14-10+.
What are the key properties of [(E)-spiro[5.5]undecan-5-ylideneamino]urea?
[(E)-spiro[5.5]undecan-5-ylideneamino]urea has a molecular weight of 223.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-spiro[5.5]undecan-5-ylideneamino]urea is sourced from PubChem (CID 6372299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).