4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one

C15H14N2O — CID 168686565

IUPAC4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cncc3ccccc23)C1
InChIInChI=1S/C15H14N2O/c1-2-11-7-15(18)17(10-11)14-9-16-8-12-5-3-4-6-13(12)14/h2-6,8-9,11H,1,7,10H2
InChIKeyWPFVXPDDYFHFQN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds2

About 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one

4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one (PubChem CID 168686565) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
PubChem CID168686565
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cncc3ccccc23)C1
InChIInChI=1S/C15H14N2O/c1-2-11-7-15(18)17(10-11)14-9-16-8-12-5-3-4-6-13(12)14/h2-6,8-9,11H,1,7,10H2
InChIKeyWPFVXPDDYFHFQN-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one (CID 168686565) is 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one is C=CC1CC(=O)N(c2cncc3ccccc23)C1.
What is the InChIKey of 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one?
The InChIKey is WPFVXPDDYFHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-7-15(18)17(10-11)14-9-16-8-12-5-3-4-6-13(12)14/h2-6,8-9,11H,1,7,10H2.
What are the key properties of 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one?
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168686565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).