CID 59102215

C5H7OSe — CID 59102215

IUPAC—
SMILESO=C1CCC([Se])C1
InChIInChI=1S/C5H7OSe/c6-4-1-2-5(7)3-4/h5H,1-3H2
InChIKeyAHOOWFNZAKEVKF-UHFFFAOYSA-N
MW162.07 g/mol
LogP0.70
Rot. Bonds

About CID 59102215

CID 59102215 (PubChem CID 59102215) has the molecular formula C5H7OSe and a molecular weight of 162.07 g/mol.

Molecular Properties

Compound NameCID 59102215
PubChem CID59102215
Molecular FormulaC5H7OSe
Molecular Weight162.07 g/mol
Exact Mass162.97
IUPAC Name—
SMILESO=C1CCC([Se])C1
InChIInChI=1S/C5H7OSe/c6-4-1-2-5(7)3-4/h5H,1-3H2
InChIKeyAHOOWFNZAKEVKF-UHFFFAOYSA-N
XLogP0.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 59102215?
The IUPAC name of CID 59102215 (CID 59102215) is not available.
What is the SMILES notation for CID 59102215?
The canonical SMILES for CID 59102215 is O=C1CCC([Se])C1.
What is the InChIKey of CID 59102215?
The InChIKey is AHOOWFNZAKEVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7OSe/c6-4-1-2-5(7)3-4/h5H,1-3H2.
What are the key properties of CID 59102215?
CID 59102215 has a molecular weight of 162.07 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102215 is sourced from PubChem (CID 59102215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).