oxirane;urea

C4H12N4O3 — CID 159502675

IUPACoxirane;urea
SMILESC1CO1.NC(N)=O.NC(N)=O
InChIInChI=1S/C2H4O.2CH4N2O/c1-2-3-1;2*2-1(3)4/h1-2H2;2*(H4,2,3,4)
InChIKeyLZOZJUWMNGOAPB-UHFFFAOYSA-N
MW164.17 g/mol
LogP-1.94
Rot. Bonds

About oxirane;urea

oxirane;urea (PubChem CID 159502675) has the molecular formula C4H12N4O3 and a molecular weight of 164.17 g/mol. Its IUPAC name is oxirane;urea.

Molecular Properties

Compound Nameoxirane;urea
PubChem CID159502675
Molecular FormulaC4H12N4O3
Molecular Weight164.17 g/mol
Exact Mass164.09
IUPAC Nameoxirane;urea
SMILESC1CO1.NC(N)=O.NC(N)=O
InChIInChI=1S/C2H4O.2CH4N2O/c1-2-3-1;2*2-1(3)4/h1-2H2;2*(H4,2,3,4)
InChIKeyLZOZJUWMNGOAPB-UHFFFAOYSA-N
XLogP-1.94
TPSA150.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diamino(113C)methanone
CID 636363
1,4-dioxane;ethyl carbamate;urea
CID 175495068
oxane-4-carboxamide
CID 13197203
1,4-dioxane;oxalic acid
CID 160983598
1,4-dioxane;propan-2-one
CID 22407776
lithium urea
CID 22107644
niobium;urea
CID 159338844
samarium;urea
CID 175944196
azanium urea
CID 22635082
barium(2+);urea
CID 22402807
CID 159010976
CID 159010976
azane;urea
CID 158949980

Frequently Asked Questions

What is the IUPAC name of oxirane;urea?
The IUPAC name of oxirane;urea (CID 159502675) is oxirane;urea.
What is the SMILES notation for oxirane;urea?
The canonical SMILES for oxirane;urea is C1CO1.NC(N)=O.NC(N)=O.
What is the InChIKey of oxirane;urea?
The InChIKey is LZOZJUWMNGOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.2CH4N2O/c1-2-3-1;2*2-1(3)4/h1-2H2;2*(H4,2,3,4).
What are the key properties of oxirane;urea?
oxirane;urea has a molecular weight of 164.17 g/mol, XLogP of -1.94, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;urea is sourced from PubChem (CID 159502675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).