5-ethyl-3-prop-2-enylpyrrolidin-2-one

C9H15NO — CID 91284017

IUPAC5-ethyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(CC)NC1=O
InChIInChI=1S/C9H15NO/c1-3-5-7-6-8(4-2)10-9(7)11/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyCUBZYUSQYFDPLO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds3

About 5-ethyl-3-prop-2-enylpyrrolidin-2-one

5-ethyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 91284017) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-ethyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID91284017
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-ethyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(CC)NC1=O
InChIInChI=1S/C9H15NO/c1-3-5-7-6-8(4-2)10-9(7)11/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyCUBZYUSQYFDPLO-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Prop-2-en-1-yl)pyrrolidin-2-one
CID 14464963
(1R,5R)-6-azabicyclo(3.2.1)oct-3-en-7-one
CID 55300356
(5S)-5-prop-2-enylpyrrolidin-2-one
CID 641555
(5R)-5-but-3-enylpyrrolidin-2-one
CID 11171013
3-Allylpyrrolidin-2-one
CID 13839124
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)pyrrolidin-2-one
CID 134969458
(4S)-4-(1,1-difluoropent-1-en-3-yl)pyrrolidin-2-one
CID 117688359
(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
CID 167119665
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
3,3a,6,6a-Tetrahydrocyclopenta[b]pyrrol-2(1H)-one
CID 13443843
(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
CID 11480552
(5S)-5-buta-2,3-dienylpyrrolidin-2-one
CID 15420014

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-3-prop-2-enylpyrrolidin-2-one (CID 91284017) is 5-ethyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1CC(CC)NC1=O.
What is the InChIKey of 5-ethyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is CUBZYUSQYFDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-7-6-8(4-2)10-9(7)11/h3,7-8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 5-ethyl-3-prop-2-enylpyrrolidin-2-one?
5-ethyl-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 91284017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).