carbamic acid;methylurea

C3H9N3O3 — CID 158185473

IUPACcarbamic acid;methylurea
SMILESCNC(N)=O.NC(=O)O
InChIInChI=1S/C2H6N2O.CH3NO2/c1-4-2(3)5;2-1(3)4/h1H3,(H3,3,4,5);2H2,(H,3,4)
InChIKeyFZBYWHIOESALKK-UHFFFAOYSA-N
MW135.12 g/mol
LogP-1.09
Rot. Bonds

About carbamic acid;methylurea

carbamic acid;methylurea (PubChem CID 158185473) has the molecular formula C3H9N3O3 and a molecular weight of 135.12 g/mol. Its IUPAC name is carbamic acid;methylurea.

Molecular Properties

Compound Namecarbamic acid;methylurea
PubChem CID158185473
Molecular FormulaC3H9N3O3
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Namecarbamic acid;methylurea
SMILESCNC(N)=O.NC(=O)O
InChIInChI=1S/C2H6N2O.CH3NO2/c1-4-2(3)5;2-1(3)4/h1H3,(H3,3,4,5);2H2,(H,3,4)
InChIKeyFZBYWHIOESALKK-UHFFFAOYSA-N
XLogP-1.09
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;methylurea?
The IUPAC name of carbamic acid;methylurea (CID 158185473) is carbamic acid;methylurea.
What is the SMILES notation for carbamic acid;methylurea?
The canonical SMILES for carbamic acid;methylurea is CNC(N)=O.NC(=O)O.
What is the InChIKey of carbamic acid;methylurea?
The InChIKey is FZBYWHIOESALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.CH3NO2/c1-4-2(3)5;2-1(3)4/h1H3,(H3,3,4,5);2H2,(H,3,4).
What are the key properties of carbamic acid;methylurea?
carbamic acid;methylurea has a molecular weight of 135.12 g/mol, XLogP of -1.09, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;methylurea is sourced from PubChem (CID 158185473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).