formamide;methylurea

C3H9N3O2 — CID 87240897

IUPACformamide;methylurea
SMILESCNC(N)=O.NC=O
InChIInChI=1S/C2H6N2O.CH3NO/c1-4-2(3)5;2-1-3/h1H3,(H3,3,4,5);1H,(H2,2,3)
InChIKeyAGWWEFOFZCSZNJ-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.61
Rot. Bonds

About formamide;methylurea

formamide;methylurea (PubChem CID 87240897) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is formamide;methylurea.

Molecular Properties

Compound Nameformamide;methylurea
PubChem CID87240897
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Nameformamide;methylurea
SMILESCNC(N)=O.NC=O
InChIInChI=1S/C2H6N2O.CH3NO/c1-4-2(3)5;2-1-3/h1H3,(H3,3,4,5);1H,(H2,2,3)
InChIKeyAGWWEFOFZCSZNJ-UHFFFAOYSA-N
XLogP-1.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;methylurea?
The IUPAC name of formamide;methylurea (CID 87240897) is formamide;methylurea.
What is the SMILES notation for formamide;methylurea?
The canonical SMILES for formamide;methylurea is CNC(N)=O.NC=O.
What is the InChIKey of formamide;methylurea?
The InChIKey is AGWWEFOFZCSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.CH3NO/c1-4-2(3)5;2-1-3/h1H3,(H3,3,4,5);1H,(H2,2,3).
What are the key properties of formamide;methylurea?
formamide;methylurea has a molecular weight of 119.12 g/mol, XLogP of -1.61, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methylurea is sourced from PubChem (CID 87240897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).