1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one

C17H22N2O — CID 126526003

IUPAC1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-14-7-8-17(20)19(14)16-9-11-18(12-10-16)13-15-5-3-2-4-6-15/h2-6,9,14H,7-8,10-13H2,1H3
InChIKeyZEJIYGMQTXLNCL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.79
Rot. Bonds3

About 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one

1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one (PubChem CID 126526003) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
PubChem CID126526003
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-14-7-8-17(20)19(14)16-9-11-18(12-10-16)13-15-5-3-2-4-6-15/h2-6,9,14H,7-8,10-13H2,1H3
InChIKeyZEJIYGMQTXLNCL-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one (CID 126526003) is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one is CC1CCC(=O)N1C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one?
The InChIKey is ZEJIYGMQTXLNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-7-8-17(20)19(14)16-9-11-18(12-10-16)13-15-5-3-2-4-6-15/h2-6,9,14H,7-8,10-13H2,1H3.
What are the key properties of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one?
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 126526003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).