1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one

C13H19N3O — CID 79043170

IUPAC1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1ncccc1N1CCC(NC(C)C)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyAOFVRFQHYZWIRV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one

1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 79043170) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID79043170
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1ncccc1N1CCC(NC(C)C)C1=O
InChIInChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyAOFVRFQHYZWIRV-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one (CID 79043170) is 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one is Cc1ncccc1N1CCC(NC(C)C)C1=O.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is AOFVRFQHYZWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-11-6-8-16(13(11)17)12-5-4-7-14-10(12)3/h4-5,7,9,11,15H,6,8H2,1-3H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 79043170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).