3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione

C11H12N2O2 — CID 102582008

IUPAC3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C11H12N2O2/c1-8-6-10(14)13(11(8)15)7-9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3
InChIKeyKFRBDEPBNXPYJF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione

3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 102582008) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID102582008
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C11H12N2O2/c1-8-6-10(14)13(11(8)15)7-9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3
InChIKeyKFRBDEPBNXPYJF-UHFFFAOYSA-N
XLogP0.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
1-[(5-bromoquinolin-8-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 75520404
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117022584
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
CID 162146956
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (CID 102582008) is 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is CC1CC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is KFRBDEPBNXPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-10(14)13(11(8)15)7-9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 102582008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).