CID 87107751

C6H12N2O2Se2 — CID 87107751

IUPAC—
SMILESCCN(CC)C(=O)[Se].NC(=O)[Se]
InChIInChI=1S/C5H10NOSe.CH2NOSe/c1-3-6(4-2)5(7)8;2-1(3)4/h3-4H2,1-2H3;(H2,2,3)
InChIKeyTWUQESWZNBDSDV-UHFFFAOYSA-N
MW302.09 g/mol
LogP-0.15
Rot. Bonds2

About CID 87107751

CID 87107751 (PubChem CID 87107751) has the molecular formula C6H12N2O2Se2 and a molecular weight of 302.09 g/mol.

Molecular Properties

Compound NameCID 87107751
PubChem CID87107751
Molecular FormulaC6H12N2O2Se2
Molecular Weight302.09 g/mol
Exact Mass303.92
IUPAC Name—
SMILESCCN(CC)C(=O)[Se].NC(=O)[Se]
InChIInChI=1S/C5H10NOSe.CH2NOSe/c1-3-6(4-2)5(7)8;2-1(3)4/h3-4H2,1-2H3;(H2,2,3)
InChIKeyTWUQESWZNBDSDV-UHFFFAOYSA-N
XLogP-0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 87107751?
The IUPAC name of CID 87107751 (CID 87107751) is not available.
What is the SMILES notation for CID 87107751?
The canonical SMILES for CID 87107751 is CCN(CC)C(=O)[Se].NC(=O)[Se].
What is the InChIKey of CID 87107751?
The InChIKey is TWUQESWZNBDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOSe.CH2NOSe/c1-3-6(4-2)5(7)8;2-1(3)4/h3-4H2,1-2H3;(H2,2,3).
What are the key properties of CID 87107751?
CID 87107751 has a molecular weight of 302.09 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87107751 is sourced from PubChem (CID 87107751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).