(3-oxocyclobuten-1-yl)urea

C5H6N2O2 — CID 171545576

IUPAC(3-oxocyclobuten-1-yl)urea
SMILESNC(=O)NC1=CC(=O)C1
InChIInChI=1S/C5H6N2O2/c6-5(9)7-3-1-4(8)2-3/h1H,2H2,(H3,6,7,9)
InChIKeyPJMQVEHQZRNIAQ-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.49
Rot. Bonds1

About (3-oxocyclobuten-1-yl)urea

(3-oxocyclobuten-1-yl)urea (PubChem CID 171545576) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is (3-oxocyclobuten-1-yl)urea.

Molecular Properties

Compound Name(3-oxocyclobuten-1-yl)urea
PubChem CID171545576
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name(3-oxocyclobuten-1-yl)urea
SMILESNC(=O)NC1=CC(=O)C1
InChIInChI=1S/C5H6N2O2/c6-5(9)7-3-1-4(8)2-3/h1H,2H2,(H3,6,7,9)
InChIKeyPJMQVEHQZRNIAQ-UHFFFAOYSA-N
XLogP-0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-oxocyclobuten-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclobuten-1-yl)urea?
The IUPAC name of (3-oxocyclobuten-1-yl)urea (CID 171545576) is (3-oxocyclobuten-1-yl)urea.
What is the SMILES notation for (3-oxocyclobuten-1-yl)urea?
The canonical SMILES for (3-oxocyclobuten-1-yl)urea is NC(=O)NC1=CC(=O)C1.
What is the InChIKey of (3-oxocyclobuten-1-yl)urea?
The InChIKey is PJMQVEHQZRNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5(9)7-3-1-4(8)2-3/h1H,2H2,(H3,6,7,9).
What are the key properties of (3-oxocyclobuten-1-yl)urea?
(3-oxocyclobuten-1-yl)urea has a molecular weight of 126.11 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclobuten-1-yl)urea is sourced from PubChem (CID 171545576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).