CID 51034750

C8H12NO2Se — CID 51034750

IUPAC—
SMILESCCC/C([Se])=N/C1CCOC1=O
InChIInChI=1S/C8H12NO2Se/c1-2-3-7(12)9-6-4-5-11-8(6)10/h6H,2-5H2,1H3/b9-7-
InChIKeyYGXJKYOMJIFCIX-CLFYSBASSA-N
MW233.15 g/mol
LogP0.67
Rot. Bonds3

About CID 51034750

CID 51034750 (PubChem CID 51034750) has the molecular formula C8H12NO2Se and a molecular weight of 233.15 g/mol.

Molecular Properties

Compound NameCID 51034750
PubChem CID51034750
Molecular FormulaC8H12NO2Se
Molecular Weight233.15 g/mol
Exact Mass234.00
IUPAC Name—
SMILESCCC/C([Se])=N/C1CCOC1=O
InChIInChI=1S/C8H12NO2Se/c1-2-3-7(12)9-6-4-5-11-8(6)10/h6H,2-5H2,1H3/b9-7-
InChIKeyYGXJKYOMJIFCIX-CLFYSBASSA-N
XLogP0.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 51034750?
The IUPAC name of CID 51034750 (CID 51034750) is not available.
What is the SMILES notation for CID 51034750?
The canonical SMILES for CID 51034750 is CCC/C([Se])=N/C1CCOC1=O.
What is the InChIKey of CID 51034750?
The InChIKey is YGXJKYOMJIFCIX-CLFYSBASSA-N. The full InChI is InChI=1S/C8H12NO2Se/c1-2-3-7(12)9-6-4-5-11-8(6)10/h6H,2-5H2,1H3/b9-7-.
What are the key properties of CID 51034750?
CID 51034750 has a molecular weight of 233.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51034750 is sourced from PubChem (CID 51034750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).