(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol

C14H19NOSe — CID 101117222

IUPAC(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCCC[C@@H]1C[C@H](O)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C14H19NOSe/c1-3-4-12-9-13(16)15-14(17-12)11-7-5-10(2)6-8-11/h5-8,12-13,16H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyHOADNDOTFBKGMM-OLZOCXBDSA-N
MW296.27 g/mol
LogP2.76
Rot. Bonds3

About (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol

(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol (PubChem CID 101117222) has the molecular formula C14H19NOSe and a molecular weight of 296.27 g/mol. Its IUPAC name is (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
PubChem CID101117222
Molecular FormulaC14H19NOSe
Molecular Weight296.27 g/mol
Exact Mass297.06
IUPAC Name(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
SMILESCCC[C@@H]1C[C@H](O)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C14H19NOSe/c1-3-4-12-9-13(16)15-14(17-12)11-7-5-10(2)6-8-11/h5-8,12-13,16H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyHOADNDOTFBKGMM-OLZOCXBDSA-N
XLogP2.76
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 ≤ 52.76
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
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
4-Methyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
CID 9903475
trans-2-(Benzylidenamino)-cyclohexanol
CID 15737537
Benzylideneaminopropanol
CID 67428659
Hydroxy benzylidenecyclohexylamine
CID 68565546
1-[(2,4-Difluorophenyl)methylideneamino]-4-methylpentan-1-ol
CID 151142509
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
(2S)-3-methyl-2-[(4-methylphenyl)methylideneamino]butan-1-ol
CID 10488470

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol?
The IUPAC name of (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol (CID 101117222) is (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol.
What is the SMILES notation for (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol?
The canonical SMILES for (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol is CCC[C@@H]1C[C@H](O)N=C(c2ccc(C)cc2)[Se]1.
What is the InChIKey of (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol?
The InChIKey is HOADNDOTFBKGMM-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NOSe/c1-3-4-12-9-13(16)15-14(17-12)11-7-5-10(2)6-8-11/h5-8,12-13,16H,3-4,9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol?
(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol has a molecular weight of 296.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol is sourced from PubChem (CID 101117222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).