3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one

C17H26N2O3 — CID 130450932

IUPAC3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
SMILESCC1=C(N2C(=O)C(C)(CC3CCC(C)N3)CC2C)COC1=O
InChIInChI=1S/C17H26N2O3/c1-10-5-6-13(18-10)8-17(4)7-11(2)19(16(17)21)14-9-22-15(20)12(14)3/h10-11,13,18H,5-9H2,1-4H3
InChIKeyVUEBZLGQRVZDCT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds3

About 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one

3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 130450932) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
PubChem CID130450932
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
SMILESCC1=C(N2C(=O)C(C)(CC3CCC(C)N3)CC2C)COC1=O
InChIInChI=1S/C17H26N2O3/c1-10-5-6-13(18-10)8-17(4)7-11(2)19(16(17)21)14-9-22-15(20)12(14)3/h10-11,13,18H,5-9H2,1-4H3
InChIKeyVUEBZLGQRVZDCT-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one (CID 130450932) is 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one is CC1=C(N2C(=O)C(C)(CC3CCC(C)N3)CC2C)COC1=O.
What is the InChIKey of 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is VUEBZLGQRVZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10-5-6-13(18-10)8-17(4)7-11(2)19(16(17)21)14-9-22-15(20)12(14)3/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one?
3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130450932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).