[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea

C10H15N3O — CID 5468238

IUPAC[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea
SMILESNC(=O)N/N=C1\C2CC3CC(C2)C1C3
InChIInChI=1S/C10H15N3O/c11-10(14)13-12-9-7-2-5-1-6(4-7)8(9)3-5/h5-8H,1-4H2,(H3,11,13,14)/b12-9+
InChIKeyDXOBGVCNIGRXSG-FMIVXFBMSA-N
MW193.25 g/mol
LogP1.08
Rot. Bonds1

About [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea

[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea (PubChem CID 5468238) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea
PubChem CID5468238
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea
SMILESNC(=O)N/N=C1\C2CC3CC(C2)C1C3
InChIInChI=1S/C10H15N3O/c11-10(14)13-12-9-7-2-5-1-6(4-7)8(9)3-5/h5-8H,1-4H2,(H3,11,13,14)/b12-9+
InChIKeyDXOBGVCNIGRXSG-FMIVXFBMSA-N
XLogP1.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.08
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)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea?
The IUPAC name of [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea (CID 5468238) is [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea.
What is the SMILES notation for [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea?
The canonical SMILES for [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea is NC(=O)N/N=C1\C2CC3CC(C2)C1C3.
What is the InChIKey of [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea?
The InChIKey is DXOBGVCNIGRXSG-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3O/c11-10(14)13-12-9-7-2-5-1-6(4-7)8(9)3-5/h5-8H,1-4H2,(H3,11,13,14)/b12-9+.
What are the key properties of [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea?
[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea has a molecular weight of 193.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea is sourced from PubChem (CID 5468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).