(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole

C15H18N2 — CID 20813927

IUPAC(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C)n1-c1ccc2c(c1)C[C@@H](C)N2
InChIInChI=1S/C15H18N2/c1-10-8-13-9-14(6-7-15(13)16-10)17-11(2)4-5-12(17)3/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1
InChIKeyJGXWQBXWQPTABN-SNVBAGLBSA-N
MW226.32 g/mol
LogP3.45
Rot. Bonds1

About (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole

(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole (PubChem CID 20813927) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole
PubChem CID20813927
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C)n1-c1ccc2c(c1)C[C@@H](C)N2
InChIInChI=1S/C15H18N2/c1-10-8-13-9-14(6-7-15(13)16-10)17-11(2)4-5-12(17)3/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1
InChIKeyJGXWQBXWQPTABN-SNVBAGLBSA-N
XLogP3.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole (CID 20813927) is (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole is Cc1ccc(C)n1-c1ccc2c(c1)C[C@@H](C)N2.
What is the InChIKey of (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is JGXWQBXWQPTABN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-8-13-9-14(6-7-15(13)16-10)17-11(2)4-5-12(17)3/h4-7,9-10,16H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole?
(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 226.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 20813927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).