4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one

C16H21NO2 — CID 168683636

IUPAC4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccccc2OCC)C1
InChIInChI=1S/C16H21NO2/c1-4-13-10-16(18)17(11-13)12(3)14-8-6-7-9-15(14)19-5-2/h4,6-9,12-13H,1,5,10-11H2,2-3H3
InChIKeyJOOWQCRODLVASL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds5

About 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168683636) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID168683636
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccccc2OCC)C1
InChIInChI=1S/C16H21NO2/c1-4-13-10-16(18)17(11-13)12(3)14-8-6-7-9-15(14)19-5-2/h4,6-9,12-13H,1,5,10-11H2,2-3H3
InChIKeyJOOWQCRODLVASL-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
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

4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
1-[1-(2-methoxyphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669244
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316
1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182
6-[1-(2-ethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678293
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3646921

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one (CID 168683636) is 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(C(C)c2ccccc2OCC)C1.
What is the InChIKey of 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is JOOWQCRODLVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-13-10-16(18)17(11-13)12(3)14-8-6-7-9-15(14)19-5-2/h4,6-9,12-13H,1,5,10-11H2,2-3H3.
What are the key properties of 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).