3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione

C11H18N2O2 — CID 102819845

IUPAC3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C[C@H]2CCCN2)C(=O)C1C
InChIInChI=1S/C11H18N2O2/c1-7-8(2)11(15)13(10(7)14)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyPCWYYOVGBWHSNJ-AMDVSUOASA-N
MW210.28 g/mol
LogP0.38
Rot. Bonds2

About 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 102819845) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID102819845
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C[C@H]2CCCN2)C(=O)C1C
InChIInChI=1S/C11H18N2O2/c1-7-8(2)11(15)13(10(7)14)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyPCWYYOVGBWHSNJ-AMDVSUOASA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 103500242
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920
2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]-1,4-benzoxazin-3-one
CID 102819727
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262251
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione (CID 102819845) is 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione is CC1C(=O)N(C[C@H]2CCCN2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is PCWYYOVGBWHSNJ-AMDVSUOASA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-8(2)11(15)13(10(7)14)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3/t7?,8?,9-/m1/s1.
What are the key properties of 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 102819845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).