[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea

C12H16N4O — CID 98151079

IUPAC[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C12H16N4O/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)/b15-11+/t9-/m1/s1
InChIKeyBHSRKLPMJGOGMM-DXXBARHASA-N
MW232.29 g/mol
LogP1.76
Rot. Bonds2

About [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea

[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea (PubChem CID 98151079) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
PubChem CID98151079
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
SMILESNC(=O)N/N=C1\CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C12H16N4O/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)/b15-11+/t9-/m1/s1
InChIKeyBHSRKLPMJGOGMM-DXXBARHASA-N
XLogP1.76
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.76
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea?
The IUPAC name of [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea (CID 98151079) is [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea.
What is the SMILES notation for [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea?
The canonical SMILES for [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea is NC(=O)N/N=C1\CCCC[C@@H]1c1ccccn1.
What is the InChIKey of [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea?
The InChIKey is BHSRKLPMJGOGMM-DXXBARHASA-N. The full InChI is InChI=1S/C12H16N4O/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)/b15-11+/t9-/m1/s1.
What are the key properties of [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea?
[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea has a molecular weight of 232.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea is sourced from PubChem (CID 98151079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).