carbamoyloxyselanyl carbamate

C2H4N2O4Se — CID 140970798

IUPACcarbamoyloxyselanyl carbamate
SMILESNC(=O)O[Se]OC(N)=O
InChIInChI=1S/C2H4N2O4Se/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyKHCKHCMBAPANNI-UHFFFAOYSA-N
MW199.02 g/mol
LogP-1.29
Rot. Bonds2

About carbamoyloxyselanyl carbamate

carbamoyloxyselanyl carbamate (PubChem CID 140970798) has the molecular formula C2H4N2O4Se and a molecular weight of 199.02 g/mol. Its IUPAC name is carbamoyloxyselanyl carbamate.

Molecular Properties

Compound Namecarbamoyloxyselanyl carbamate
PubChem CID140970798
Molecular FormulaC2H4N2O4Se
Molecular Weight199.02 g/mol
Exact Mass199.93
IUPAC Namecarbamoyloxyselanyl carbamate
SMILESNC(=O)O[Se]OC(N)=O
InChIInChI=1S/C2H4N2O4Se/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyKHCKHCMBAPANNI-UHFFFAOYSA-N
XLogP-1.29
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamoyloxyselanyl carbamate?
The IUPAC name of carbamoyloxyselanyl carbamate (CID 140970798) is carbamoyloxyselanyl carbamate.
What is the SMILES notation for carbamoyloxyselanyl carbamate?
The canonical SMILES for carbamoyloxyselanyl carbamate is NC(=O)O[Se]OC(N)=O.
What is the InChIKey of carbamoyloxyselanyl carbamate?
The InChIKey is KHCKHCMBAPANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4Se/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6).
What are the key properties of carbamoyloxyselanyl carbamate?
carbamoyloxyselanyl carbamate has a molecular weight of 199.02 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxyselanyl carbamate is sourced from PubChem (CID 140970798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).