7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole

C14H15NS — CID 4646871

IUPAC7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cccc(C)c3N2)s1
InChIInChI=1S/C14H15NS/c1-9-4-3-5-11-8-12(15-14(9)11)13-7-6-10(2)16-13/h3-7,12,15H,8H2,1-2H3
InChIKeyPKGMXFIRZWVUAZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.07
Rot. Bonds1

About 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole

7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole (PubChem CID 4646871) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
PubChem CID4646871
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cccc(C)c3N2)s1
InChIInChI=1S/C14H15NS/c1-9-4-3-5-11-8-12(15-14(9)11)13-7-6-10(2)16-13/h3-7,12,15H,8H2,1-2H3
InChIKeyPKGMXFIRZWVUAZ-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3980200
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
7-methyl-2-pyridin-4-yl-2,3-dihydro-1H-indole
CID 4591288
2-(2-chlorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4312167
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
2-(5-ethylthiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
CID 3433368
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551
5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3505165
2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole
CID 4540969
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole (CID 4646871) is 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cccc(C)c3N2)s1.
What is the InChIKey of 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is PKGMXFIRZWVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-9-4-3-5-11-8-12(15-14(9)11)13-7-6-10(2)16-13/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 229.35 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).