(5R)-5-acetyl-5-ethenylpyrrolidin-2-one

C8H11NO2 — CID 143028313

IUPAC(5R)-5-acetyl-5-ethenylpyrrolidin-2-one
SMILESC=C[C@@]1(C(C)=O)CCC(=O)N1
InChIInChI=1S/C8H11NO2/c1-3-8(6(2)10)5-4-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1
InChIKeyYBEZYOZAUYTJHD-QMMMGPOBSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds2

About (5R)-5-acetyl-5-ethenylpyrrolidin-2-one

(5R)-5-acetyl-5-ethenylpyrrolidin-2-one (PubChem CID 143028313) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5R)-5-acetyl-5-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-acetyl-5-ethenylpyrrolidin-2-one
PubChem CID143028313
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5R)-5-acetyl-5-ethenylpyrrolidin-2-one
SMILESC=C[C@@]1(C(C)=O)CCC(=O)N1
InChIInChI=1S/C8H11NO2/c1-3-8(6(2)10)5-4-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1
InChIKeyYBEZYOZAUYTJHD-QMMMGPOBSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-Acetyl-2-azabicyclo[2.2.1]hept-5-ene-3-one
CID 23496772
8-Methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 158292836
(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione
CID 177221104
(R)-2-Allyl-5-oxopyrrolidine-2-carboxamide
CID 11819417

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyl-5-ethenylpyrrolidin-2-one?
The IUPAC name of (5R)-5-acetyl-5-ethenylpyrrolidin-2-one (CID 143028313) is (5R)-5-acetyl-5-ethenylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-acetyl-5-ethenylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-acetyl-5-ethenylpyrrolidin-2-one is C=C[C@@]1(C(C)=O)CCC(=O)N1.
What is the InChIKey of (5R)-5-acetyl-5-ethenylpyrrolidin-2-one?
The InChIKey is YBEZYOZAUYTJHD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-8(6(2)10)5-4-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1.
What are the key properties of (5R)-5-acetyl-5-ethenylpyrrolidin-2-one?
(5R)-5-acetyl-5-ethenylpyrrolidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyl-5-ethenylpyrrolidin-2-one is sourced from PubChem (CID 143028313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).