5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C15H21N3O2 — CID 11960422

IUPAC5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C15H21N3O2/c19-14-6-5-12(10-16-14)15(20)18-9-3-4-13(18)11-17-7-1-2-8-17/h5-6,10,13H,1-4,7-9,11H2,(H,16,19)/t13-/m0/s1
InChIKeyWTVKHMDJVURQCZ-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.08
Rot. Bonds3

About 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 11960422) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID11960422
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C15H21N3O2/c19-14-6-5-12(10-16-14)15(20)18-9-3-4-13(18)11-17-7-1-2-8-17/h5-6,10,13H,1-4,7-9,11H2,(H,16,19)/t13-/m0/s1
InChIKeyWTVKHMDJVURQCZ-ZDUSSCGKSA-N
XLogP1.08
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 11960422) is 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1CN1CCCC1.
What is the InChIKey of 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WTVKHMDJVURQCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14-6-5-12(10-16-14)15(20)18-9-3-4-13(18)11-17-7-1-2-8-17/h5-6,10,13H,1-4,7-9,11H2,(H,16,19)/t13-/m0/s1.
What are the key properties of 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 11960422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).