4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one

C14H16INO — CID 168684209

IUPAC4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(I)cc2CC)C1
InChIInChI=1S/C14H16INO/c1-3-10-7-14(17)16(9-10)13-6-5-12(15)8-11(13)4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyHPSVAXADHGIDKE-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.39
Rot. Bonds3

About 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one

4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one (PubChem CID 168684209) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
PubChem CID168684209
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(I)cc2CC)C1
InChIInChI=1S/C14H16INO/c1-3-10-7-14(17)16(9-10)13-6-5-12(15)8-11(13)4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyHPSVAXADHGIDKE-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzaldehyde
CID 168685774
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
ethyl 5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684142
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750
(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one (CID 168684209) is 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(I)cc2CC)C1.
What is the InChIKey of 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one?
The InChIKey is HPSVAXADHGIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-3-10-7-14(17)16(9-10)13-6-5-12(15)8-11(13)4-2/h3,5-6,8,10H,1,4,7,9H2,2H3.
What are the key properties of 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one?
4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one has a molecular weight of 341.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).