[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea

C12H21N3O — CID 11896369

IUPAC[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCCCCC[C@@H]2C[C@@H]12
InChIInChI=1S/C12H21N3O/c13-12(16)15-14-11-7-5-3-1-2-4-6-9-8-10(9)11/h9-10H,1-8H2,(H3,13,15,16)/b14-11+/t9-,10-/m1/s1
InChIKeyJTXTZAHECBFCCD-FHQJZVNASA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds1

About [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea

[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea (PubChem CID 11896369) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea
PubChem CID11896369
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCCCCC[C@@H]2C[C@@H]12
InChIInChI=1S/C12H21N3O/c13-12(16)15-14-11-7-5-3-1-2-4-6-9-8-10(9)11/h9-10H,1-8H2,(H3,13,15,16)/b14-11+/t9-,10-/m1/s1
InChIKeyJTXTZAHECBFCCD-FHQJZVNASA-N
XLogP2.39
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 ≤ 52.39
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)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea?
The IUPAC name of [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea (CID 11896369) is [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea.
What is the SMILES notation for [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea?
The canonical SMILES for [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea is NC(=O)N/N=C1\CCCCCCC[C@@H]2C[C@@H]12.
What is the InChIKey of [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea?
The InChIKey is JTXTZAHECBFCCD-FHQJZVNASA-N. The full InChI is InChI=1S/C12H21N3O/c13-12(16)15-14-11-7-5-3-1-2-4-6-9-8-10(9)11/h9-10H,1-8H2,(H3,13,15,16)/b14-11+/t9-,10-/m1/s1.
What are the key properties of [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea?
[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea has a molecular weight of 223.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea is sourced from PubChem (CID 11896369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).