2-methyl-3-phenylselanyl-1H-indole

C15H13NSe — CID 12843402

IUPAC2-methyl-3-phenylselanyl-1H-indole
SMILESCc1[nH]c2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C15H13NSe/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3
InChIKeyIASPJWVRICMHKQ-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.13
Rot. Bonds2

About 2-methyl-3-phenylselanyl-1H-indole

2-methyl-3-phenylselanyl-1H-indole (PubChem CID 12843402) has the molecular formula C15H13NSe and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-methyl-3-phenylselanyl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-phenylselanyl-1H-indole
PubChem CID12843402
Molecular FormulaC15H13NSe
Molecular Weight286.24 g/mol
Exact Mass287.02
IUPAC Name2-methyl-3-phenylselanyl-1H-indole
SMILESCc1[nH]c2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C15H13NSe/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3
InChIKeyIASPJWVRICMHKQ-UHFFFAOYSA-N
XLogP2.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
butane;2,3-dimethyl-1H-indole
CID 143059445
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
9H-carbazole
CID 66668984
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
bromomethane;9H-carbazole
CID 67594562
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylselanyl-1H-indole?
The IUPAC name of 2-methyl-3-phenylselanyl-1H-indole (CID 12843402) is 2-methyl-3-phenylselanyl-1H-indole.
What is the SMILES notation for 2-methyl-3-phenylselanyl-1H-indole?
The canonical SMILES for 2-methyl-3-phenylselanyl-1H-indole is Cc1[nH]c2ccccc2c1[Se]c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylselanyl-1H-indole?
The InChIKey is IASPJWVRICMHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NSe/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3.
What are the key properties of 2-methyl-3-phenylselanyl-1H-indole?
2-methyl-3-phenylselanyl-1H-indole has a molecular weight of 286.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylselanyl-1H-indole is sourced from PubChem (CID 12843402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).