(5S)-1-acetyl-5-ethenylpyrrolidin-2-one

C8H11NO2 — CID 45085959

IUPAC(5S)-1-acetyl-5-ethenylpyrrolidin-2-one
SMILESC=C[C@@H]1CCC(=O)N1C(C)=O
InChIInChI=1S/C8H11NO2/c1-3-7-4-5-8(11)9(7)6(2)10/h3,7H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyOFKWJEPWMFSKGN-SSDOTTSWSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds1

About (5S)-1-acetyl-5-ethenylpyrrolidin-2-one

(5S)-1-acetyl-5-ethenylpyrrolidin-2-one (PubChem CID 45085959) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5S)-1-acetyl-5-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-acetyl-5-ethenylpyrrolidin-2-one
PubChem CID45085959
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5S)-1-acetyl-5-ethenylpyrrolidin-2-one
SMILESC=C[C@@H]1CCC(=O)N1C(C)=O
InChIInChI=1S/C8H11NO2/c1-3-7-4-5-8(11)9(7)6(2)10/h3,7H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyOFKWJEPWMFSKGN-SSDOTTSWSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
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 (5S)-1-acetyl-5-ethenylpyrrolidin-2-one?
The IUPAC name of (5S)-1-acetyl-5-ethenylpyrrolidin-2-one (CID 45085959) is (5S)-1-acetyl-5-ethenylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-acetyl-5-ethenylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-acetyl-5-ethenylpyrrolidin-2-one is C=C[C@@H]1CCC(=O)N1C(C)=O.
What is the InChIKey of (5S)-1-acetyl-5-ethenylpyrrolidin-2-one?
The InChIKey is OFKWJEPWMFSKGN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7-4-5-8(11)9(7)6(2)10/h3,7H,1,4-5H2,2H3/t7-/m1/s1.
What are the key properties of (5S)-1-acetyl-5-ethenylpyrrolidin-2-one?
(5S)-1-acetyl-5-ethenylpyrrolidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-acetyl-5-ethenylpyrrolidin-2-one is sourced from PubChem (CID 45085959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).