1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone

C11H17NO2 — CID 59027811

IUPAC1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
SMILESC=C(C)C1C(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C11H17NO2/c1-7(2)11-10(8(3)13)5-6-12(11)9(4)14/h10-11H,1,5-6H2,2-4H3
InChIKeyAELFZMIYEHZDMY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone

1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 59027811) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
PubChem CID59027811
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
SMILESC=C(C)C1C(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C11H17NO2/c1-7(2)11-10(8(3)13)5-6-12(11)9(4)14/h10-11H,1,5-6H2,2-4H3
InChIKeyAELFZMIYEHZDMY-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone (CID 59027811) is 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone is C=C(C)C1C(C(C)=O)CCN1C(C)=O.
What is the InChIKey of 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is AELFZMIYEHZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11-10(8(3)13)5-6-12(11)9(4)14/h10-11H,1,5-6H2,2-4H3.
What are the key properties of 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 59027811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).