1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one

C11H16N2O2 — CID 15629532

IUPAC1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C#CCN(C)C
InChIInChI=1S/C11H16N2O2/c1-9(14)13-10(6-7-11(13)15)5-4-8-12(2)3/h10H,6-8H2,1-3H3
InChIKeyCTCYESYQTBZUCL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.09
Rot. Bonds1

About 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one

1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one (PubChem CID 15629532) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one
PubChem CID15629532
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C#CCN(C)C
InChIInChI=1S/C11H16N2O2/c1-9(14)13-10(6-7-11(13)15)5-4-8-12(2)3/h10H,6-8H2,1-3H3
InChIKeyCTCYESYQTBZUCL-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one (CID 15629532) is 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one is CC(=O)N1C(=O)CCC1C#CCN(C)C.
What is the InChIKey of 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one?
The InChIKey is CTCYESYQTBZUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)13-10(6-7-11(13)15)5-4-8-12(2)3/h10H,6-8H2,1-3H3.
What are the key properties of 1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one?
1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.09, 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-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 15629532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).