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

C16H21NO — CID 168683642

IUPAC4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccc(CC)cc2)C1
InChIInChI=1S/C16H21NO/c1-4-13-6-8-15(9-7-13)12(3)17-11-14(5-2)10-16(17)18/h5-9,12,14H,2,4,10-11H2,1,3H3
InChIKeyPCABLAAVFXJYGE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.34
Rot. Bonds4

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

4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168683642) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
PubChem CID168683642
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccc(CC)cc2)C1
InChIInChI=1S/C16H21NO/c1-4-13-6-8-15(9-7-13)12(3)17-11-14(5-2)10-16(17)18/h5-9,12,14H,2,4,10-11H2,1,3H3
InChIKeyPCABLAAVFXJYGE-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595
S-[[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665992
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168683746
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619
4-(bromomethyl)-1-[(1S)-1-(4-bromophenyl)ethyl]pyrrolidin-2-one
CID 168503355
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one (CID 168683642) is 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(C(C)c2ccc(CC)cc2)C1.
What is the InChIKey of 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is PCABLAAVFXJYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-13-6-8-15(9-7-13)12(3)17-11-14(5-2)10-16(17)18/h5-9,12,14H,2,4,10-11H2,1,3H3.
What are the key properties of 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).