1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one

C11H15N3O — CID 130921227

IUPAC1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one
SMILESCN(C)c1ccc(N2CCC(=O)C2)cn1
InChIInChI=1S/C11H15N3O/c1-13(2)11-4-3-9(7-12-11)14-6-5-10(15)8-14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRFCZQUVZINHXCW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.93
Rot. Bonds2

About 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one

1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one (PubChem CID 130921227) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one
PubChem CID130921227
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one
SMILESCN(C)c1ccc(N2CCC(=O)C2)cn1
InChIInChI=1S/C11H15N3O/c1-13(2)11-4-3-9(7-12-11)14-6-5-10(15)8-14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRFCZQUVZINHXCW-UHFFFAOYSA-N
XLogP0.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one (CID 130921227) is 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one is CN(C)c1ccc(N2CCC(=O)C2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one?
The InChIKey is RFCZQUVZINHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13(2)11-4-3-9(7-12-11)14-6-5-10(15)8-14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one?
1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one has a molecular weight of 205.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-3-one is sourced from PubChem (CID 130921227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).