1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one

C14H19N3O — CID 132535316

IUPAC1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one
SMILESCN1CCCC1c1cnccc1N1CCCC1=O
InChIInChI=1S/C14H19N3O/c1-16-8-2-4-12(16)11-10-15-7-6-13(11)17-9-3-5-14(17)18/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyMQWDJPMQFGSUTE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds2

About 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one

1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one (PubChem CID 132535316) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one
PubChem CID132535316
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one
SMILESCN1CCCC1c1cnccc1N1CCCC1=O
InChIInChI=1S/C14H19N3O/c1-16-8-2-4-12(16)11-10-15-7-6-13(11)17-9-3-5-14(17)18/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyMQWDJPMQFGSUTE-UHFFFAOYSA-N
XLogP1.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one (CID 132535316) is 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one is CN1CCCC1c1cnccc1N1CCCC1=O.
What is the InChIKey of 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one?
The InChIKey is MQWDJPMQFGSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-8-2-4-12(16)11-10-15-7-6-13(11)17-9-3-5-14(17)18/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one?
1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 132535316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).