Carbamoyl carbamate;dihydrochloride

C₂H₆Cl₂N₂O₃ — CID 175326234

About Carbamoyl carbamate;dihydrochloride

Carbamoyl carbamate;dihydrochloride (PubChem CID 175326234) has the molecular formula C₂H₆Cl₂N₂O₃ and a molecular weight of 176.99 g/mol. Its IUPAC name is carbamoyl carbamate;dihydrochloride.

Molecular Properties

• Compound Name: Carbamoyl carbamate;dihydrochloride
• PubChem CID: 175326234
• Molecular Formula: C₂H₆Cl₂N₂O₃
• Molecular Weight: 176.99 g/mol
• Exact Mass: 175.98
• IUPAC Name: carbamoyl carbamate;dihydrochloride
• SMILES: Cl.Cl.NC(=O)OC(N)=O
• InChI: InChI=1S/C2H4N2O3.2ClH/c3-1(5)7-2(4)6;;/h(H2,3,5)(H2,4,6);2*1H
• InChIKey: MPCIAEHOQGVPEF-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 95.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	176.99
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbamoyl carbamate;dihydrochloride?

The IUPAC name of Carbamoyl carbamate;dihydrochloride (CID 175326234) is carbamoyl carbamate;dihydrochloride.

What is the SMILES notation for Carbamoyl carbamate;dihydrochloride?

The canonical SMILES for Carbamoyl carbamate;dihydrochloride is Cl.Cl.NC(=O)OC(N)=O.

What is the InChIKey of Carbamoyl carbamate;dihydrochloride?

The InChIKey is MPCIAEHOQGVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3.2ClH/c3-1(5)7-2(4)6;;/h(H2,3,5)(H2,4,6);2*1H.

What are the key properties of Carbamoyl carbamate;dihydrochloride?

Carbamoyl carbamate;dihydrochloride has a molecular weight of 176.99 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Carbamoyl carbamate;dihydrochloride is sourced from PubChem (CID 175326234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175326234 — identifiers, structure, computed properties (public domain)

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