1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one

C10H14N2O — CID 94889645

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
SMILESO=c1ccn(C[C@@H]2CCCN2)cc1
InChIInChI=1S/C10H14N2O/c13-10-3-6-12(7-4-10)8-9-2-1-5-11-9/h3-4,6-7,9,11H,1-2,5,8H2/t9-/m0/s1
InChIKeyZRSDRVJVUITWHU-VIFPVBQESA-N
MW178.24 g/mol
LogP0.60
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one

1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one (PubChem CID 94889645) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
PubChem CID94889645
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
SMILESO=c1ccn(C[C@@H]2CCCN2)cc1
InChIInChI=1S/C10H14N2O/c13-10-3-6-12(7-4-10)8-9-2-1-5-11-9/h3-4,6-7,9,11H,1-2,5,8H2/t9-/m0/s1
InChIKeyZRSDRVJVUITWHU-VIFPVBQESA-N
XLogP0.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
3-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrole
CID 71188059
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
5-cyclopropyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430772
5-cyclobutyl-2-[[(2R)-pyrrolidin-2-yl]methyl]-1H-pyrazol-3-one
CID 129430763
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557042
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one (CID 94889645) is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one is O=c1ccn(C[C@@H]2CCCN2)cc1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one?
The InChIKey is ZRSDRVJVUITWHU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-3-6-12(7-4-10)8-9-2-1-5-11-9/h3-4,6-7,9,11H,1-2,5,8H2/t9-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one?
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one is sourced from PubChem (CID 94889645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).