methylurea;hydrate

C2H8N2O2 — CID 141425619

IUPACmethylurea;hydrate
SMILESCNC(N)=O.O
InChIInChI=1S/C2H6N2O.H2O/c1-4-2(3)5;/h1H3,(H3,3,4,5);1H2
InChIKeyQXXREGVBELTJEM-UHFFFAOYSA-N
MW92.10 g/mol
LogP-1.54
Rot. Bonds

About methylurea;hydrate

methylurea;hydrate (PubChem CID 141425619) has the molecular formula C2H8N2O2 and a molecular weight of 92.10 g/mol. Its IUPAC name is methylurea;hydrate.

Molecular Properties

Compound Namemethylurea;hydrate
PubChem CID141425619
Molecular FormulaC2H8N2O2
Molecular Weight92.10 g/mol
Exact Mass92.06
IUPAC Namemethylurea;hydrate
SMILESCNC(N)=O.O
InChIInChI=1S/C2H6N2O.H2O/c1-4-2(3)5;/h1H3,(H3,3,4,5);1H2
InChIKeyQXXREGVBELTJEM-UHFFFAOYSA-N
XLogP-1.54
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylurea;hydrate?
The IUPAC name of methylurea;hydrate (CID 141425619) is methylurea;hydrate.
What is the SMILES notation for methylurea;hydrate?
The canonical SMILES for methylurea;hydrate is CNC(N)=O.O.
What is the InChIKey of methylurea;hydrate?
The InChIKey is QXXREGVBELTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.H2O/c1-4-2(3)5;/h1H3,(H3,3,4,5);1H2.
What are the key properties of methylurea;hydrate?
methylurea;hydrate has a molecular weight of 92.10 g/mol, XLogP of -1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylurea;hydrate is sourced from PubChem (CID 141425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).