[(E)-1-(oxan-4-yl)butylideneamino]urea

C10H19N3O2 — CID 6381629

IUPAC[(E)-1-(oxan-4-yl)butylideneamino]urea
SMILESCCC/C(=N\NC(N)=O)C1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-2-3-9(12-13-10(11)14)8-4-6-15-7-5-8/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+
InChIKeyJRECVVJSDCIBQX-FMIVXFBMSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds4

About [(E)-1-(oxan-4-yl)butylideneamino]urea

[(E)-1-(oxan-4-yl)butylideneamino]urea (PubChem CID 6381629) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(E)-1-(oxan-4-yl)butylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(oxan-4-yl)butylideneamino]urea
PubChem CID6381629
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[(E)-1-(oxan-4-yl)butylideneamino]urea
SMILESCCC/C(=N\NC(N)=O)C1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-2-3-9(12-13-10(11)14)8-4-6-15-7-5-8/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+
InChIKeyJRECVVJSDCIBQX-FMIVXFBMSA-N
XLogP1.24
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
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)-1-(oxan-4-yl)butylideneamino]urea?
The IUPAC name of [(E)-1-(oxan-4-yl)butylideneamino]urea (CID 6381629) is [(E)-1-(oxan-4-yl)butylideneamino]urea.
What is the SMILES notation for [(E)-1-(oxan-4-yl)butylideneamino]urea?
The canonical SMILES for [(E)-1-(oxan-4-yl)butylideneamino]urea is CCC/C(=N\NC(N)=O)C1CCOCC1.
What is the InChIKey of [(E)-1-(oxan-4-yl)butylideneamino]urea?
The InChIKey is JRECVVJSDCIBQX-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-3-9(12-13-10(11)14)8-4-6-15-7-5-8/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+.
What are the key properties of [(E)-1-(oxan-4-yl)butylideneamino]urea?
[(E)-1-(oxan-4-yl)butylideneamino]urea has a molecular weight of 213.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(oxan-4-yl)butylideneamino]urea is sourced from PubChem (CID 6381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).