1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one

C13H20N2O — CID 167251701

IUPAC1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one
SMILESCC1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C13H20N2O/c1-10(2)14-8-11(3)12(9-14)15-7-5-4-6-13(15)16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyAKVWEQGVPSGJAD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one

1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one (PubChem CID 167251701) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one
PubChem CID167251701
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one
SMILESCC1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C13H20N2O/c1-10(2)14-8-11(3)12(9-14)15-7-5-4-6-13(15)16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyAKVWEQGVPSGJAD-UHFFFAOYSA-N
XLogP1.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one?
The IUPAC name of 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one (CID 167251701) is 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one?
The canonical SMILES for 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one is CC1CN(C(C)C)CC1n1ccccc1=O.
What is the InChIKey of 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one?
The InChIKey is AKVWEQGVPSGJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)14-8-11(3)12(9-14)15-7-5-4-6-13(15)16/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one?
1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one is sourced from PubChem (CID 167251701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).