1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one

C13H16N2O — CID 168684957

IUPAC1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)cc(C)n2)C1
InChIInChI=1S/C13H16N2O/c1-4-11-7-13(16)15(8-11)12-6-9(2)5-10(3)14-12/h4-6,11H,1,7-8H2,2-3H3
InChIKeyKQTFAXAMSOMDEJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.24
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one

1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684957) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168684957
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(C)cc(C)n2)C1
InChIInChI=1S/C13H16N2O/c1-4-11-7-13(16)15(8-11)12-6-9(2)5-10(3)14-12/h4-6,11H,1,7-8H2,2-3H3
InChIKeyKQTFAXAMSOMDEJ-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.24
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 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168684957) is 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(C)cc(C)n2)C1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is KQTFAXAMSOMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-11-7-13(16)15(8-11)12-6-9(2)5-10(3)14-12/h4-6,11H,1,7-8H2,2-3H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).