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

C8H15N3O2 — CID 77022534

IUPAC[(2-ethyloxan-4-ylidene)amino]urea
SMILESCCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C8H15N3O2/c1-2-7-5-6(3-4-13-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12)
InChIKeyGMLKCOSOZUTNJR-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.60
Rot. Bonds2

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

[(2-ethyloxan-4-ylidene)amino]urea (PubChem CID 77022534) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is [(2-ethyloxan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(2-ethyloxan-4-ylidene)amino]urea
PubChem CID77022534
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name[(2-ethyloxan-4-ylidene)amino]urea
SMILESCCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C8H15N3O2/c1-2-7-5-6(3-4-13-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12)
InChIKeyGMLKCOSOZUTNJR-UHFFFAOYSA-N
XLogP0.60
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.60
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-ethyloxan-4-ylidene)amino]urea?
The IUPAC name of [(2-ethyloxan-4-ylidene)amino]urea (CID 77022534) is [(2-ethyloxan-4-ylidene)amino]urea.
What is the SMILES notation for [(2-ethyloxan-4-ylidene)amino]urea?
The canonical SMILES for [(2-ethyloxan-4-ylidene)amino]urea is CCC1CC(=NNC(N)=O)CCO1.
What is the InChIKey of [(2-ethyloxan-4-ylidene)amino]urea?
The InChIKey is GMLKCOSOZUTNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-7-5-6(3-4-13-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12).
What are the key properties of [(2-ethyloxan-4-ylidene)amino]urea?
[(2-ethyloxan-4-ylidene)amino]urea has a molecular weight of 185.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethyloxan-4-ylidene)amino]urea is sourced from PubChem (CID 77022534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).