carbon monoxide;methylurea

C3H6N2O2 — CID 88728573

IUPACcarbon monoxide;methylurea
SMILESCNC(N)=O.[C-]#[O+]
InChIInChI=1S/C2H6N2O.CO/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);
InChIKeySXGNTFWGWKLKCN-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.75
Rot. Bonds

About carbon monoxide;methylurea

carbon monoxide;methylurea (PubChem CID 88728573) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is carbon monoxide;methylurea.

Molecular Properties

Compound Namecarbon monoxide;methylurea
PubChem CID88728573
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namecarbon monoxide;methylurea
SMILESCNC(N)=O.[C-]#[O+]
InChIInChI=1S/C2H6N2O.CO/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);
InChIKeySXGNTFWGWKLKCN-UHFFFAOYSA-N
XLogP-0.75
TPSA75.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;methylurea?
The IUPAC name of carbon monoxide;methylurea (CID 88728573) is carbon monoxide;methylurea.
What is the SMILES notation for carbon monoxide;methylurea?
The canonical SMILES for carbon monoxide;methylurea is CNC(N)=O.[C-]#[O+].
What is the InChIKey of carbon monoxide;methylurea?
The InChIKey is SXGNTFWGWKLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.CO/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);.
What are the key properties of carbon monoxide;methylurea?
carbon monoxide;methylurea has a molecular weight of 102.09 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;methylurea is sourced from PubChem (CID 88728573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).