4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C13H22N2O3 — CID 108754227

IUPAC4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9(2)15-7-10(6-12(15)16)13(17)14-5-4-11(8-14)18-3/h9-11H,4-8H2,1-3H3
InChIKeyALTDAUSZUNMSHY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.49
Rot. Bonds3

About 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 108754227) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID108754227
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)C1
InChIInChI=1S/C13H22N2O3/c1-9(2)15-7-10(6-12(15)16)13(17)14-5-4-11(8-14)18-3/h9-11H,4-8H2,1-3H3
InChIKeyALTDAUSZUNMSHY-UHFFFAOYSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
3-(4-methoxypiperidine-1-carbonyl)cyclobutan-1-one
CID 171109226
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
4-(dimethylsulfamoylamino)-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidine
CID 108564907
(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
4-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546385
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
4-(4-hydroxy-4-methylazepane-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 107406810

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 108754227) is 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is COC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ALTDAUSZUNMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)15-7-10(6-12(15)16)13(17)14-5-4-11(8-14)18-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 108754227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).