(E)-4-oxopentan-2-ylideneurea

C6H10N2O2 — CID 55291468

IUPAC(E)-4-oxopentan-2-ylideneurea
SMILESCC(=O)C/C(C)=N/C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(3-5(2)9)8-6(7)10/h3H2,1-2H3,(H2,7,10)/b8-4+
InChIKeyJCQKPSVENPVYQF-XBXARRHUSA-N
MW142.16 g/mol
LogP0.51
Rot. Bonds2

About (E)-4-oxopentan-2-ylideneurea

(E)-4-oxopentan-2-ylideneurea (PubChem CID 55291468) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (E)-4-oxopentan-2-ylideneurea.

Molecular Properties

Compound Name(E)-4-oxopentan-2-ylideneurea
PubChem CID55291468
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(E)-4-oxopentan-2-ylideneurea
SMILESCC(=O)C/C(C)=N/C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(3-5(2)9)8-6(7)10/h3H2,1-2H3,(H2,7,10)/b8-4+
InChIKeyJCQKPSVENPVYQF-XBXARRHUSA-N
XLogP0.51
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-oxopentan-2-ylideneurea?
The IUPAC name of (E)-4-oxopentan-2-ylideneurea (CID 55291468) is (E)-4-oxopentan-2-ylideneurea.
What is the SMILES notation for (E)-4-oxopentan-2-ylideneurea?
The canonical SMILES for (E)-4-oxopentan-2-ylideneurea is CC(=O)C/C(C)=N/C(N)=O.
What is the InChIKey of (E)-4-oxopentan-2-ylideneurea?
The InChIKey is JCQKPSVENPVYQF-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(3-5(2)9)8-6(7)10/h3H2,1-2H3,(H2,7,10)/b8-4+.
What are the key properties of (E)-4-oxopentan-2-ylideneurea?
(E)-4-oxopentan-2-ylideneurea has a molecular weight of 142.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxopentan-2-ylideneurea is sourced from PubChem (CID 55291468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).