3-methyl-2H-benzo[g][1,3]benzoselenazole

C12H11NSe — CID 23317919

IUPAC3-methyl-2H-benzo[g][1,3]benzoselenazole
SMILESCN1C[Se]c2c1ccc1ccccc21
InChIInChI=1S/C12H11NSe/c1-13-8-14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-7H,8H2,1H3
InChIKeyHJKXLYZDWXGDRP-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.58
Rot. Bonds

About 3-methyl-2H-benzo[g][1,3]benzoselenazole

3-methyl-2H-benzo[g][1,3]benzoselenazole (PubChem CID 23317919) has the molecular formula C12H11NSe and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-methyl-2H-benzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name3-methyl-2H-benzo[g][1,3]benzoselenazole
PubChem CID23317919
Molecular FormulaC12H11NSe
Molecular Weight248.19 g/mol
Exact Mass249.01
IUPAC Name3-methyl-2H-benzo[g][1,3]benzoselenazole
SMILESCN1C[Se]c2c1ccc1ccccc21
InChIInChI=1S/C12H11NSe/c1-13-8-14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-7H,8H2,1H3
InChIKeyHJKXLYZDWXGDRP-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
CID 58185016
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
12,29-dimethyl-12,29-diazaheptacyclo[29.3.1.114,18.02,11.03,8.019,28.020,25]hexatriaconta-1(34),2(11),3,5,7,9,14(36),15,17,19(28),20,22,24,26,31(35),32-hexadecaene
CID 58568656
13-chloro-12,14-dimethyl-12,14-diaza-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 102113073
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
butane;chrysene;ethane
CID 143984277
12-selenapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59245745
13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 16723613
12,29-dimethyl-16,33-bis(2,4,6-trimethylphenyl)-12,29-diazaheptacyclo[29.3.1.114,18.02,11.03,8.019,28.020,25]hexatriaconta-1(35),2(11),3,5,7,9,14,16,18(36),19(28),20,22,24,26,31,33-hexadecaene
CID 58568639
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-benzo[g][1,3]benzoselenazole?
The IUPAC name of 3-methyl-2H-benzo[g][1,3]benzoselenazole (CID 23317919) is 3-methyl-2H-benzo[g][1,3]benzoselenazole.
What is the SMILES notation for 3-methyl-2H-benzo[g][1,3]benzoselenazole?
The canonical SMILES for 3-methyl-2H-benzo[g][1,3]benzoselenazole is CN1C[Se]c2c1ccc1ccccc21.
What is the InChIKey of 3-methyl-2H-benzo[g][1,3]benzoselenazole?
The InChIKey is HJKXLYZDWXGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NSe/c1-13-8-14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-7H,8H2,1H3.
What are the key properties of 3-methyl-2H-benzo[g][1,3]benzoselenazole?
3-methyl-2H-benzo[g][1,3]benzoselenazole has a molecular weight of 248.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-benzo[g][1,3]benzoselenazole is sourced from PubChem (CID 23317919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).