1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one

C15H20N2O — CID 19838695

IUPAC1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(CN2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-12-8-10-16(11-17-9-4-7-15(17)18)14-6-3-2-5-13(12)14/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyPLRSJLYNHOZLHX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds2

About 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one

1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 19838695) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one
PubChem CID19838695
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CCN(CN2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-12-8-10-16(11-17-9-4-7-15(17)18)14-6-3-2-5-13(12)14/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyPLRSJLYNHOZLHX-UHFFFAOYSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one (CID 19838695) is 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one is CC1CCN(CN2CCCC2=O)c2ccccc21.
What is the InChIKey of 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is PLRSJLYNHOZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-8-10-16(11-17-9-4-7-15(17)18)14-6-3-2-5-13(12)14/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one?
1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 19838695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).