(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C10H12N2O — CID 854019

IUPAC(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1c1cccnc1
InChIInChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKeyUIKROCXWUNQSPJ-VIFPVBQESA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds1

About (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 854019) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID854019
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1c1cccnc1
InChIInChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKeyUIKROCXWUNQSPJ-VIFPVBQESA-N
XLogP1.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Disopyramide
CID 3114
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Norcotinine
CID 413
(+-)-Cotinine
CID 408
(R)-Nicotine
CID 157672
3'-Hydroxycotinine, trans-
CID 107963
3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine
CID 409
Nicotine hydrochloride
CID 5284430
Nicotine 1'-N-oxide
CID 68107
Vamicamide
CID 65967
3-Hydroxycotinine
CID 10219774

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 854019) is (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)CC[C@H]1c1cccnc1.
What is the InChIKey of (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is UIKROCXWUNQSPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 854019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).