(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol

C16H23NOSe — CID 10592048

IUPAC(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCCCC1=N[C@](C)(O)C[C@H](c2ccccc2)[Se]1
InChIInChI=1S/C16H23NOSe/c1-3-4-6-11-15-17-16(2,18)12-14(19-15)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyZILKLUSCFYZZTF-GDBMZVCRSA-N
MW324.33 g/mol
LogP3.52
Rot. Bonds5

About (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol

(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol (PubChem CID 10592048) has the molecular formula C16H23NOSe and a molecular weight of 324.33 g/mol. Its IUPAC name is (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
PubChem CID10592048
Molecular FormulaC16H23NOSe
Molecular Weight324.33 g/mol
Exact Mass325.09
IUPAC Name(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCCCC1=N[C@](C)(O)C[C@H](c2ccccc2)[Se]1
InChIInChI=1S/C16H23NOSe/c1-3-4-6-11-15-17-16(2,18)12-14(19-15)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyZILKLUSCFYZZTF-GDBMZVCRSA-N
XLogP3.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The IUPAC name of (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol (CID 10592048) is (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol.
What is the SMILES notation for (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The canonical SMILES for (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol is CCCCCC1=N[C@](C)(O)C[C@H](c2ccccc2)[Se]1.
What is the InChIKey of (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The InChIKey is ZILKLUSCFYZZTF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23NOSe/c1-3-4-6-11-15-17-16(2,18)12-14(19-15)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol has a molecular weight of 324.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol is sourced from PubChem (CID 10592048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).