[(2-propyloxan-4-ylidene)amino]urea

C9H17N3O2 — CID 77022553

IUPAC[(2-propyloxan-4-ylidene)amino]urea
SMILESCCCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C9H17N3O2/c1-2-3-8-6-7(4-5-14-8)11-12-9(10)13/h8H,2-6H2,1H3,(H3,10,12,13)
InChIKeyGLXWYKQUCSOFIM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.99
Rot. Bonds3

About [(2-propyloxan-4-ylidene)amino]urea

[(2-propyloxan-4-ylidene)amino]urea (PubChem CID 77022553) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(2-propyloxan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(2-propyloxan-4-ylidene)amino]urea
PubChem CID77022553
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[(2-propyloxan-4-ylidene)amino]urea
SMILESCCCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C9H17N3O2/c1-2-3-8-6-7(4-5-14-8)11-12-9(10)13/h8H,2-6H2,1H3,(H3,10,12,13)
InChIKeyGLXWYKQUCSOFIM-UHFFFAOYSA-N
XLogP0.99
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.99
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 [(2-propyloxan-4-ylidene)amino]urea?
The IUPAC name of [(2-propyloxan-4-ylidene)amino]urea (CID 77022553) is [(2-propyloxan-4-ylidene)amino]urea.
What is the SMILES notation for [(2-propyloxan-4-ylidene)amino]urea?
The canonical SMILES for [(2-propyloxan-4-ylidene)amino]urea is CCCC1CC(=NNC(N)=O)CCO1.
What is the InChIKey of [(2-propyloxan-4-ylidene)amino]urea?
The InChIKey is GLXWYKQUCSOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-8-6-7(4-5-14-8)11-12-9(10)13/h8H,2-6H2,1H3,(H3,10,12,13).
What are the key properties of [(2-propyloxan-4-ylidene)amino]urea?
[(2-propyloxan-4-ylidene)amino]urea has a molecular weight of 199.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-propyloxan-4-ylidene)amino]urea is sourced from PubChem (CID 77022553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).