[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea

C9H15N3O2 — CID 23257989

IUPAC[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCC[C@H]2O[C@H]2C1
InChIInChI=1S/C9H15N3O2/c10-9(13)12-11-6-3-1-2-4-7-8(5-6)14-7/h7-8H,1-5H2,(H3,10,12,13)/b11-6+/t7-,8+/m1/s1
InChIKeyGLBCNUWQFPIUGS-GKTFBYNNSA-N
MW197.24 g/mol
LogP0.74
Rot. Bonds1

About [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea

[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea (PubChem CID 23257989) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea
PubChem CID23257989
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCC[C@H]2O[C@H]2C1
InChIInChI=1S/C9H15N3O2/c10-9(13)12-11-6-3-1-2-4-7-8(5-6)14-7/h7-8H,1-5H2,(H3,10,12,13)/b11-6+/t7-,8+/m1/s1
InChIKeyGLBCNUWQFPIUGS-GKTFBYNNSA-N
XLogP0.74
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea with MolForge

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Related Compounds

[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071
[(Z)-[(5R)-5-hydroxycyclononylidene]amino]urea
CID 5412870
[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea
CID 5412869
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea
CID 5358799
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
[(Z)-(2-bromocyclohexylidene)amino]urea
CID 6294921
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
[(2-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-4-ylidene)amino]urea
CID 165343370
(oxolan-3-ylideneamino)urea
CID 77013743
[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea
CID 11896369
[(4-methoxycyclohexylidene)amino]urea
CID 112693050

Frequently Asked Questions

What is the IUPAC name of [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea?
The IUPAC name of [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea (CID 23257989) is [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea.
What is the SMILES notation for [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea?
The canonical SMILES for [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea is NC(=O)N/N=C1\CCCC[C@H]2O[C@H]2C1.
What is the InChIKey of [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea?
The InChIKey is GLBCNUWQFPIUGS-GKTFBYNNSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-9(13)12-11-6-3-1-2-4-7-8(5-6)14-7/h7-8H,1-5H2,(H3,10,12,13)/b11-6+/t7-,8+/m1/s1.
What are the key properties of [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea?
[(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea has a molecular weight of 197.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(1S,8R)-9-oxabicyclo[6.1.0]nonan-3-ylidene]amino]urea is sourced from PubChem (CID 23257989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).