carbamoyl carbamate;dihydrochloride

C2H6Cl2N2O3 — CID 175326234

IUPACcarbamoyl carbamate;dihydrochloride
SMILESCl.Cl.NC(=O)OC(N)=O
InChIInChI=1S/C2H4N2O3.2ClH/c3-1(5)7-2(4)6;;/h(H2,3,5)(H2,4,6);2*1H
InChIKeyMPCIAEHOQGVPEF-UHFFFAOYSA-N
MW176.99 g/mol
LogP0.00
Rot. Bonds

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 Namecarbamoyl carbamate;dihydrochloride
PubChem CID175326234
Molecular FormulaC2H6Cl2N2O3
Molecular Weight176.99 g/mol
Exact Mass175.98
IUPAC Namecarbamoyl carbamate;dihydrochloride
SMILESCl.Cl.NC(=O)OC(N)=O
InChIInChI=1S/C2H4N2O3.2ClH/c3-1(5)7-2(4)6;;/h(H2,3,5)(H2,4,6);2*1H
InChIKeyMPCIAEHOQGVPEF-UHFFFAOYSA-N
XLogP0.00
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.99
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173126478
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CID 176792860
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CID 175302695
formaldehyde;urea;hydrochloride
CID 158235523
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CID 175206669

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).