oxiran-2-ylmethylurea

C4H8N2O2 — CID 18380130

IUPACoxiran-2-ylmethylurea
SMILESNC(=O)NCC1CO1
InChIInChI=1S/C4H8N2O2/c5-4(7)6-1-3-2-8-3/h3H,1-2H2,(H3,5,6,7)
InChIKeyNVZCJJITFYLTRV-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.95
Rot. Bonds2

About oxiran-2-ylmethylurea

oxiran-2-ylmethylurea (PubChem CID 18380130) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is oxiran-2-ylmethylurea.

Molecular Properties

Compound Nameoxiran-2-ylmethylurea
PubChem CID18380130
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameoxiran-2-ylmethylurea
SMILESNC(=O)NCC1CO1
InChIInChI=1S/C4H8N2O2/c5-4(7)6-1-3-2-8-3/h3H,1-2H2,(H3,5,6,7)
InChIKeyNVZCJJITFYLTRV-UHFFFAOYSA-N
XLogP-0.95
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethylurea?
The IUPAC name of oxiran-2-ylmethylurea (CID 18380130) is oxiran-2-ylmethylurea.
What is the SMILES notation for oxiran-2-ylmethylurea?
The canonical SMILES for oxiran-2-ylmethylurea is NC(=O)NCC1CO1.
What is the InChIKey of oxiran-2-ylmethylurea?
The InChIKey is NVZCJJITFYLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-4(7)6-1-3-2-8-3/h3H,1-2H2,(H3,5,6,7).
What are the key properties of oxiran-2-ylmethylurea?
oxiran-2-ylmethylurea has a molecular weight of 116.12 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethylurea is sourced from PubChem (CID 18380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).