(4-diazo-3-oxobutyl)urea

C5H8N4O2 — CID 71410069

IUPAC(4-diazo-3-oxobutyl)urea
SMILES[N-]=[N+]=CC(=O)CCNC(N)=O
InChIInChI=1S/C5H8N4O2/c6-5(11)8-2-1-4(10)3-9-7/h3H,1-2H2,(H3,6,8,11)
InChIKeyQIOWTAJSXZSPDL-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.09
Rot. Bonds4

About (4-diazo-3-oxobutyl)urea

(4-diazo-3-oxobutyl)urea (PubChem CID 71410069) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (4-diazo-3-oxobutyl)urea.

Molecular Properties

Compound Name(4-diazo-3-oxobutyl)urea
PubChem CID71410069
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(4-diazo-3-oxobutyl)urea
SMILES[N-]=[N+]=CC(=O)CCNC(N)=O
InChIInChI=1S/C5H8N4O2/c6-5(11)8-2-1-4(10)3-9-7/h3H,1-2H2,(H3,6,8,11)
InChIKeyQIOWTAJSXZSPDL-UHFFFAOYSA-N
XLogP-1.09
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-diazo-3-oxobutyl)urea?
The IUPAC name of (4-diazo-3-oxobutyl)urea (CID 71410069) is (4-diazo-3-oxobutyl)urea.
What is the SMILES notation for (4-diazo-3-oxobutyl)urea?
The canonical SMILES for (4-diazo-3-oxobutyl)urea is [N-]=[N+]=CC(=O)CCNC(N)=O.
What is the InChIKey of (4-diazo-3-oxobutyl)urea?
The InChIKey is QIOWTAJSXZSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-5(11)8-2-1-4(10)3-9-7/h3H,1-2H2,(H3,6,8,11).
What are the key properties of (4-diazo-3-oxobutyl)urea?
(4-diazo-3-oxobutyl)urea has a molecular weight of 156.15 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diazo-3-oxobutyl)urea is sourced from PubChem (CID 71410069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).