4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

C16H19NO — CID 168686334

IUPAC4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C16H19NO/c1-2-12-9-16(18)17(11-12)15-8-7-13-5-3-4-6-14(13)10-15/h2,7-8,10,12H,1,3-6,9,11H2
InChIKeyQSAPYACAHIJSNB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.10
Rot. Bonds2

About 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one

4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (PubChem CID 168686334) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
PubChem CID168686334
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C16H19NO/c1-2-12-9-16(18)17(11-12)15-8-7-13-5-3-4-6-14(13)10-15/h2,7-8,10,12H,1,3-6,9,11H2
InChIKeyQSAPYACAHIJSNB-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.10
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

4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
5-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-pyrrolidin-1-ylbenzonitrile
CID 168685794
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
S-[5-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-3-yl] ethanethioate
CID 168707093
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686338
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one (CID 168686334) is 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
The InChIKey is QSAPYACAHIJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-12-9-16(18)17(11-12)15-8-7-13-5-3-4-6-14(13)10-15/h2,7-8,10,12H,1,3-6,9,11H2.
What are the key properties of 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one?
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).