4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one

C12H13IN2O — CID 168684859

IUPAC4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(I)c(C)n2)C1
InChIInChI=1S/C12H13IN2O/c1-3-9-6-12(16)15(7-9)11-5-4-10(13)8(2)14-11/h3-5,9H,1,6-7H2,2H3
InChIKeyRPXAXZDYUIHAOV-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.53
Rot. Bonds2

About 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one

4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168684859) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168684859
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(I)c(C)n2)C1
InChIInChI=1S/C12H13IN2O/c1-3-9-6-12(16)15(7-9)11-5-4-10(13)8(2)14-11/h3-5,9H,1,6-7H2,2H3
InChIKeyRPXAXZDYUIHAOV-UHFFFAOYSA-N
XLogP2.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168662716
1-(5-iodo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670541
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684957
S-[[1-(5-iodo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667212
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168685096
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168684859) is 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(I)c(C)n2)C1.
What is the InChIKey of 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is RPXAXZDYUIHAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-3-9-6-12(16)15(7-9)11-5-4-10(13)8(2)14-11/h3-5,9H,1,6-7H2,2H3.
What are the key properties of 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one?
4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 328.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168684859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).