methylurea;hydrate;hydrochloride

C2H9ClN2O2 — CID 172734420

IUPACmethylurea;hydrate;hydrochloride
SMILESCNC(N)=O.Cl.O
InChIInChI=1S/C2H6N2O.ClH.H2O/c1-4-2(3)5;;/h1H3,(H3,3,4,5);1H;1H2
InChIKeySRRVUUFRCWHGFQ-UHFFFAOYSA-N
MW128.56 g/mol
LogP-1.12
Rot. Bonds

About methylurea;hydrate;hydrochloride

methylurea;hydrate;hydrochloride (PubChem CID 172734420) has the molecular formula C2H9ClN2O2 and a molecular weight of 128.56 g/mol. Its IUPAC name is methylurea;hydrate;hydrochloride.

Molecular Properties

Compound Namemethylurea;hydrate;hydrochloride
PubChem CID172734420
Molecular FormulaC2H9ClN2O2
Molecular Weight128.56 g/mol
Exact Mass128.04
IUPAC Namemethylurea;hydrate;hydrochloride
SMILESCNC(N)=O.Cl.O
InChIInChI=1S/C2H6N2O.ClH.H2O/c1-4-2(3)5;;/h1H3,(H3,3,4,5);1H;1H2
InChIKeySRRVUUFRCWHGFQ-UHFFFAOYSA-N
XLogP-1.12
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylurea;hydrate;hydrochloride?
The IUPAC name of methylurea;hydrate;hydrochloride (CID 172734420) is methylurea;hydrate;hydrochloride.
What is the SMILES notation for methylurea;hydrate;hydrochloride?
The canonical SMILES for methylurea;hydrate;hydrochloride is CNC(N)=O.Cl.O.
What is the InChIKey of methylurea;hydrate;hydrochloride?
The InChIKey is SRRVUUFRCWHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.ClH.H2O/c1-4-2(3)5;;/h1H3,(H3,3,4,5);1H;1H2.
What are the key properties of methylurea;hydrate;hydrochloride?
methylurea;hydrate;hydrochloride has a molecular weight of 128.56 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylurea;hydrate;hydrochloride is sourced from PubChem (CID 172734420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).