1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one

C15H18N2O — CID 15015370

IUPAC1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cc2ccccc2n1CC1CCC(=O)N1C
InChIInChI=1S/C15H18N2O/c1-11-9-12-5-3-4-6-14(12)17(11)10-13-7-8-15(18)16(13)2/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyQOTZWKJSVJTWKG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.57
Rot. Bonds2

About 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one

1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 15015370) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one
PubChem CID15015370
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cc2ccccc2n1CC1CCC(=O)N1C
InChIInChI=1S/C15H18N2O/c1-11-9-12-5-3-4-6-14(12)17(11)10-13-7-8-15(18)16(13)2/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyQOTZWKJSVJTWKG-UHFFFAOYSA-N
XLogP2.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one (CID 15015370) is 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one is Cc1cc2ccccc2n1CC1CCC(=O)N1C.
What is the InChIKey of 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is QOTZWKJSVJTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-12-5-3-4-6-14(12)17(11)10-13-7-8-15(18)16(13)2/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one?
1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylindol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 15015370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).