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

C9H15NO — CID 70215784

IUPAC1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone
SMILESC=C(C)C1CCN(C(C)=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)9-4-5-10(6-9)8(3)11/h9H,1,4-6H2,2-3H3
InChIKeyMJIWFSVBNAEPHC-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds1

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

1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 70215784) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone
PubChem CID70215784
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone
SMILESC=C(C)C1CCN(C(C)=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)9-4-5-10(6-9)8(3)11/h9H,1,4-6H2,2-3H3
InChIKeyMJIWFSVBNAEPHC-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone (CID 70215784) is 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone is C=C(C)C1CCN(C(C)=O)C1.
What is the InChIKey of 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is MJIWFSVBNAEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)9-4-5-10(6-9)8(3)11/h9H,1,4-6H2,2-3H3.
What are the key properties of 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone?
1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-1-en-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 70215784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).