1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea

C13H19N3O2 — CID 6003887

IUPAC1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C13H19N3O2/c1-10(12-8-5-9-18-12)15-16-13(17)14-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,14,16,17)/b15-10+
InChIKeyHZJKSRUPSVMUCN-XNTDXEJSSA-N
MW249.31 g/mol
LogP2.64
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea

1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea (PubChem CID 6003887) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea
PubChem CID6003887
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C13H19N3O2/c1-10(12-8-5-9-18-12)15-16-13(17)14-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,14,16,17)/b15-10+
InChIKeyHZJKSRUPSVMUCN-XNTDXEJSSA-N
XLogP2.64
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.64
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 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea (CID 6003887) is 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea is C/C(=N\NC(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea?
The InChIKey is HZJKSRUPSVMUCN-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(12-8-5-9-18-12)15-16-13(17)14-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,14,16,17)/b15-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea?
1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea has a molecular weight of 249.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-1-(furan-2-yl)ethylideneamino]urea is sourced from PubChem (CID 6003887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).