5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one

C14H22N2O — CID 86131855

IUPAC5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1(N2CCCC2)CC=C(N2CCCC2)C1=O
InChIInChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3
InChIKeyLHZWOGDJILLEFO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.79
Rot. Bonds2

About 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one

5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 86131855) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID86131855
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1(N2CCCC2)CC=C(N2CCCC2)C1=O
InChIInChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3
InChIKeyLHZWOGDJILLEFO-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one (CID 86131855) is 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one is CC1(N2CCCC2)CC=C(N2CCCC2)C1=O.
What is the InChIKey of 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is LHZWOGDJILLEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3.
What are the key properties of 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one?
5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 86131855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).