3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one

C10H13N3O — CID 121209528

IUPAC3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one
SMILESCN1C(=O)C(N)CC1c1ccncc1
InChIInChI=1S/C10H13N3O/c1-13-9(6-8(11)10(13)14)7-2-4-12-5-3-7/h2-5,8-9H,6,11H2,1H3
InChIKeyUSTDRVOQIUGVTK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.31
Rot. Bonds1

About 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one

3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one (PubChem CID 121209528) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one
PubChem CID121209528
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one
SMILESCN1C(=O)C(N)CC1c1ccncc1
InChIInChI=1S/C10H13N3O/c1-13-9(6-8(11)10(13)14)7-2-4-12-5-3-7/h2-5,8-9H,6,11H2,1H3
InChIKeyUSTDRVOQIUGVTK-UHFFFAOYSA-N
XLogP0.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one (CID 121209528) is 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one is CN1C(=O)C(N)CC1c1ccncc1.
What is the InChIKey of 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one?
The InChIKey is USTDRVOQIUGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-9(6-8(11)10(13)14)7-2-4-12-5-3-7/h2-5,8-9H,6,11H2,1H3.
What are the key properties of 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one?
3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 121209528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).