methane;urea;hydrate

C5H22N2O2 — CID 158608154

IUPACmethane;urea;hydrate
SMILESC.C.C.C.NC(N)=O.O
InChIInChI=1S/CH4N2O.4CH4.H2O/c2-1(3)4;;;;;/h(H4,2,3,4);4*1H4;1H2
InChIKeyZPYHQQFDNCGLRD-UHFFFAOYSA-N
MW142.24 g/mol
LogP0.74
Rot. Bonds

About methane;urea;hydrate

methane;urea;hydrate (PubChem CID 158608154) has the molecular formula C5H22N2O2 and a molecular weight of 142.24 g/mol. Its IUPAC name is methane;urea;hydrate.

Molecular Properties

Compound Namemethane;urea;hydrate
PubChem CID158608154
Molecular FormulaC5H22N2O2
Molecular Weight142.24 g/mol
Exact Mass142.17
IUPAC Namemethane;urea;hydrate
SMILESC.C.C.C.NC(N)=O.O
InChIInChI=1S/CH4N2O.4CH4.H2O/c2-1(3)4;;;;;/h(H4,2,3,4);4*1H4;1H2
InChIKeyZPYHQQFDNCGLRD-UHFFFAOYSA-N
XLogP0.74
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;urea;hydrate?
The IUPAC name of methane;urea;hydrate (CID 158608154) is methane;urea;hydrate.
What is the SMILES notation for methane;urea;hydrate?
The canonical SMILES for methane;urea;hydrate is C.C.C.C.NC(N)=O.O.
What is the InChIKey of methane;urea;hydrate?
The InChIKey is ZPYHQQFDNCGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.4CH4.H2O/c2-1(3)4;;;;;/h(H4,2,3,4);4*1H4;1H2.
What are the key properties of methane;urea;hydrate?
methane;urea;hydrate has a molecular weight of 142.24 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;urea;hydrate is sourced from PubChem (CID 158608154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).