1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

C18H25NO3 — CID 22008774

IUPAC1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1CC(CCC2(C)OCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H25NO3/c1-14-12-16(8-9-18(2)21-10-11-22-18)17(20)19(14)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyYIQIHXXTCOGJEV-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.97
Rot. Bonds5

About 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 22008774) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID22008774
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1CC(CCC2(C)OCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H25NO3/c1-14-12-16(8-9-18(2)21-10-11-22-18)17(20)19(14)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyYIQIHXXTCOGJEV-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 22008774) is 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC1CC(CCC2(C)OCCO2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is YIQIHXXTCOGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-12-16(8-9-18(2)21-10-11-22-18)17(20)19(14)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 22008774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).