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

C10H17NO3 — CID 20641814

IUPAC3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CCNC2=O)OCCO1
InChIInChI=1S/C10H17NO3/c1-10(13-6-7-14-10)4-2-8-3-5-11-9(8)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyLGXIWEUQPZZLDN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.67
Rot. Bonds3

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

3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 20641814) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID20641814
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CCNC2=O)OCCO1
InChIInChI=1S/C10H17NO3/c1-10(13-6-7-14-10)4-2-8-3-5-11-9(8)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyLGXIWEUQPZZLDN-UHFFFAOYSA-N
XLogP0.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 20641814) is 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC1(CCC2CCNC2=O)OCCO1.
What is the InChIKey of 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is LGXIWEUQPZZLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(13-6-7-14-10)4-2-8-3-5-11-9(8)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 20641814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).