4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one

C12H16N2O — CID 66106319

IUPAC4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1(C)c1ccccn1
InChIInChI=1S/C12H16N2O/c1-11(2)12(3,8-10(15)14-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFRLCIRVVHIIPHJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds1

About 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one

4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one (PubChem CID 66106319) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one
PubChem CID66106319
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1(C)c1ccccn1
InChIInChI=1S/C12H16N2O/c1-11(2)12(3,8-10(15)14-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyFRLCIRVVHIIPHJ-UHFFFAOYSA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one?
The IUPAC name of 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one (CID 66106319) is 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one?
The canonical SMILES for 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one is CC1(C)NC(=O)CC1(C)c1ccccn1.
What is the InChIKey of 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one?
The InChIKey is FRLCIRVVHIIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-11(2)12(3,8-10(15)14-11)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one?
4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66106319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).