1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one

C13H18N2O2 — CID 15629530

IUPAC1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C#CCN1CCCC1
InChIInChI=1S/C13H18N2O2/c1-11(16)15-12(6-7-13(15)17)5-4-10-14-8-2-3-9-14/h12H,2-3,6-10H2,1H3
InChIKeyFKLXWHYPNWTJAG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.62
Rot. Bonds1

About 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one

1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one (PubChem CID 15629530) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one
PubChem CID15629530
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C#CCN1CCCC1
InChIInChI=1S/C13H18N2O2/c1-11(16)15-12(6-7-13(15)17)5-4-10-14-8-2-3-9-14/h12H,2-3,6-10H2,1H3
InChIKeyFKLXWHYPNWTJAG-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-5-methyl-, (+-)-
CID 3055062
2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
CID 3088972
2-Pyrrolidinone, 5-methyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, (+-)-
CID 3055365
N-Ethyl-N,N-dimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-yn-1-aminium iodide
CID 3086903
1-[2-(3-Pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502714
1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone
CID 14502715
1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
CID 15065508
1-(5-Pyrrolidin-1-ylpent-3-yn-2-yl)pyrrolidine-2,5-dione
CID 44330936
2-Pyrrolidinone, 5-methyl-1-[4-(1-pyrrolidinyl)-2-butynyl]-, (R)-
CID 3062680
(5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 3062682
Trimethyl-[4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-ynyl]azanium
CID 3088973
1-[(2R)-5-pyrrolidin-1-ylpent-3-yn-2-yl]pyrrolidin-2-one
CID 21154030

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one (CID 15629530) is 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one is CC(=O)N1C(=O)CCC1C#CCN1CCCC1.
What is the InChIKey of 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one?
The InChIKey is FKLXWHYPNWTJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(16)15-12(6-7-13(15)17)5-4-10-14-8-2-3-9-14/h12H,2-3,6-10H2,1H3.
What are the key properties of 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one?
1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 15629530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).