4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one

C18H18N2O2 — CID 168686191

IUPAC4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncccc2OCc2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-2-14-11-17(21)20(12-14)18-16(9-6-10-19-18)22-13-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2
InChIKeyGTOGXOPEFHKACF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.20
Rot. Bonds5

About 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one

4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168686191) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
PubChem CID168686191
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncccc2OCc2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-2-14-11-17(21)20(12-14)18-16(9-6-10-19-18)22-13-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2
InChIKeyGTOGXOPEFHKACF-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
CID 168719114
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
6,13-bis(3-phenylmethoxy-2-pyridinyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58995891
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168686545
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932
4-ethynyl-1-(2-phenylmethoxyphenyl)pyrrolidin-2-one
CID 168502446
[4-(3-phenylmethoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 75506594
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
CID 168686542
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one (CID 168686191) is 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ncccc2OCc2ccccc2)C1.
What is the InChIKey of 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is GTOGXOPEFHKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-14-11-17(21)20(12-14)18-16(9-6-10-19-18)22-13-15-7-4-3-5-8-15/h2-10,14H,1,11-13H2.
What are the key properties of 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one?
4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).