5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C11H14N2O — CID 132597790

IUPAC5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C11H14N2O/c1-9-4-5-11(14)13(9)8-10-3-2-6-12-7-10/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyPITMKLRFIKAOQX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 132597790) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID132597790
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C11H14N2O/c1-9-4-5-11(14)13(9)8-10-3-2-6-12-7-10/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyPITMKLRFIKAOQX-UHFFFAOYSA-N
XLogP1.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
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(3aR,7aR)-1-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379309
4-benzyl-3-ethyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 56875104
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
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(3aR,7aR)-4-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97422953
(3aR,7aR)-4-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124792433
(3aR,7aR)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124796891
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
(3aR,7aR)-1-(oxane-4-carbonyl)-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 132597790) is 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is CC1CCC(=O)N1Cc1cccnc1.
What is the InChIKey of 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is PITMKLRFIKAOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-4-5-11(14)13(9)8-10-3-2-6-12-7-10/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 132597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).