4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol

C14H19NOSe — CID 10040196

IUPAC4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCC1CC(C)(O)N=C(c2ccccc2)[Se]1
InChIInChI=1S/C14H19NOSe/c1-3-7-12-10-14(2,16)15-13(17-12)11-8-5-4-6-9-11/h4-6,8-9,12,16H,3,7,10H2,1-2H3
InChIKeyDUCSUYAIJDYVLO-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol

4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol (PubChem CID 10040196) has the molecular formula C14H19NOSe and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
PubChem CID10040196
Molecular FormulaC14H19NOSe
Molecular Weight296.27 g/mol
Exact Mass297.06
IUPAC Name4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCC1CC(C)(O)N=C(c2ccccc2)[Se]1
InChIInChI=1S/C14H19NOSe/c1-3-7-12-10-14(2,16)15-13(17-12)11-8-5-4-6-9-11/h4-6,8-9,12,16H,3,7,10H2,1-2H3
InChIKeyDUCSUYAIJDYVLO-UHFFFAOYSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-isopropyl-4-methyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9926685
4-Ethyl-2-(4-methylphenyl)-6-propan-2-yl-5,6-dihydro-1,3-selenazin-4-ol
CID 145951015
4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9903869
4-Methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470273
(r,s)-2,4,4-Trimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 13734883
4-Methyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
CID 9903475
Hydroxy benzylidenecyclohexylamine
CID 68565546
4-Methyl-2-(4-methylphenyl)-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
CID 9904759
4,6,6-trimethyl-2-(4-methylphenyl)-5H-1,3-selenazin-4-ol
CID 9948115
4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919506
4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
CID 134919507
4-methyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol?
The IUPAC name of 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol (CID 10040196) is 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol.
What is the SMILES notation for 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol?
The canonical SMILES for 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol is CCCC1CC(C)(O)N=C(c2ccccc2)[Se]1.
What is the InChIKey of 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol?
The InChIKey is DUCSUYAIJDYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSe/c1-3-7-12-10-14(2,16)15-13(17-12)11-8-5-4-6-9-11/h4-6,8-9,12,16H,3,7,10H2,1-2H3.
What are the key properties of 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol?
4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol has a molecular weight of 296.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol is sourced from PubChem (CID 10040196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).