1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one

C11H16N2O3 — CID 10082350

IUPAC1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one
SMILESCC(=O)N1CCCC1C(=O)N1CCCC1=O
InChIInChI=1S/C11H16N2O3/c1-8(14)12-6-2-4-9(12)11(16)13-7-3-5-10(13)15/h9H,2-7H2,1H3
InChIKeyVYMUZSUBMGQGKQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.15
Rot. Bonds1

About 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one

1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one (PubChem CID 10082350) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one
PubChem CID10082350
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one
SMILESCC(=O)N1CCCC1C(=O)N1CCCC1=O
InChIInChI=1S/C11H16N2O3/c1-8(14)12-6-2-4-9(12)11(16)13-7-3-5-10(13)15/h9H,2-7H2,1H3
InChIKeyVYMUZSUBMGQGKQ-UHFFFAOYSA-N
XLogP0.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.15
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

(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
1-acetylazonan-2-one
CID 19035113
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 124778110
1-acetylazepan-2-one;methane
CID 158348937
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
ethane;1-[2-(2-methyl-4-methyliminopent-2-en-3-yl)pyrrolidin-1-yl]ethanone
CID 178170514

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one (CID 10082350) is 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one is CC(=O)N1CCCC1C(=O)N1CCCC1=O.
What is the InChIKey of 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one?
The InChIKey is VYMUZSUBMGQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(14)12-6-2-4-9(12)11(16)13-7-3-5-10(13)15/h9H,2-7H2,1H3.
What are the key properties of 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one?
1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 10082350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).