[(Z)-(2-bromocyclohexylidene)amino]urea

C7H12BrN3O — CID 6294921

IUPAC[(Z)-(2-bromocyclohexylidene)amino]urea
SMILESNC(=O)N/N=C1/CCCCC1Br
InChIInChI=1S/C7H12BrN3O/c8-5-3-1-2-4-6(5)10-11-7(9)12/h5H,1-4H2,(H3,9,11,12)/b10-6-
InChIKeyBIRNTIJFAWSKTL-POHAHGRESA-N
MW234.10 g/mol
LogP1.35
Rot. Bonds1

About [(Z)-(2-bromocyclohexylidene)amino]urea

[(Z)-(2-bromocyclohexylidene)amino]urea (PubChem CID 6294921) has the molecular formula C7H12BrN3O and a molecular weight of 234.10 g/mol. Its IUPAC name is [(Z)-(2-bromocyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(2-bromocyclohexylidene)amino]urea
PubChem CID6294921
Molecular FormulaC7H12BrN3O
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name[(Z)-(2-bromocyclohexylidene)amino]urea
SMILESNC(=O)N/N=C1/CCCCC1Br
InChIInChI=1S/C7H12BrN3O/c8-5-3-1-2-4-6(5)10-11-7(9)12/h5H,1-4H2,(H3,9,11,12)/b10-6-
InChIKeyBIRNTIJFAWSKTL-POHAHGRESA-N
XLogP1.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-(2-bromocyclohexylidene)amino]urea?
The IUPAC name of [(Z)-(2-bromocyclohexylidene)amino]urea (CID 6294921) is [(Z)-(2-bromocyclohexylidene)amino]urea.
What is the SMILES notation for [(Z)-(2-bromocyclohexylidene)amino]urea?
The canonical SMILES for [(Z)-(2-bromocyclohexylidene)amino]urea is NC(=O)N/N=C1/CCCCC1Br.
What is the InChIKey of [(Z)-(2-bromocyclohexylidene)amino]urea?
The InChIKey is BIRNTIJFAWSKTL-POHAHGRESA-N. The full InChI is InChI=1S/C7H12BrN3O/c8-5-3-1-2-4-6(5)10-11-7(9)12/h5H,1-4H2,(H3,9,11,12)/b10-6-.
What are the key properties of [(Z)-(2-bromocyclohexylidene)amino]urea?
[(Z)-(2-bromocyclohexylidene)amino]urea has a molecular weight of 234.10 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-bromocyclohexylidene)amino]urea is sourced from PubChem (CID 6294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).