4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one

C15H24N2O2 — CID 113181988

IUPAC4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCCCC2CC)CC1=O
InChIInChI=1S/C15H24N2O2/c1-3-8-16-11-12(10-14(16)18)15(19)17-9-6-5-7-13(17)4-2/h3,12-13H,1,4-11H2,2H3
InChIKeyJNYKNIQWZAXCTJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds4

About 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one

4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 113181988) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID113181988
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCCCC2CC)CC1=O
InChIInChI=1S/C15H24N2O2/c1-3-8-16-11-12(10-14(16)18)15(19)17-9-6-5-7-13(17)4-2/h3,12-13H,1,4-11H2,2H3
InChIKeyJNYKNIQWZAXCTJ-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082528
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9398270
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
1-(3,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113192409
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95353523
(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100859107
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
4-(2-ethylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188568

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one (CID 113181988) is 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1CC(C(=O)N2CCCCC2CC)CC1=O.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is JNYKNIQWZAXCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-8-16-11-12(10-14(16)18)15(19)17-9-6-5-7-13(17)4-2/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 113181988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).