1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone

C9H15NO — CID 123502927

IUPAC1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone
SMILESC=CC1CNC(C(C)=O)C1C
InChIInChI=1S/C9H15NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4,6,8-10H,1,5H2,2-3H3
InChIKeyYMQVPEHKLYHTFR-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds2

About 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone

1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone (PubChem CID 123502927) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone
PubChem CID123502927
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone
SMILESC=CC1CNC(C(C)=O)C1C
InChIInChI=1S/C9H15NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4,6,8-10H,1,5H2,2-3H3
InChIKeyYMQVPEHKLYHTFR-UHFFFAOYSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone (CID 123502927) is 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone is C=CC1CNC(C(C)=O)C1C.
What is the InChIKey of 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone?
The InChIKey is YMQVPEHKLYHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4,6,8-10H,1,5H2,2-3H3.
What are the key properties of 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone?
1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-3-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 123502927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).