N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C13H22N2O3 — CID 136529929

IUPACN-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NC2(C)CCOC2C)CC1=O
InChIInChI=1S/C13H22N2O3/c1-4-15-8-10(7-11(15)16)12(17)14-13(3)5-6-18-9(13)2/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyGPPLISAKEWPCKR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds3

About N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 136529929) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID136529929
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NC2(C)CCOC2C)CC1=O
InChIInChI=1S/C13H22N2O3/c1-4-15-8-10(7-11(15)16)12(17)14-13(3)5-6-18-9(13)2/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyGPPLISAKEWPCKR-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 136529929) is N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NC2(C)CCOC2C)CC1=O.
What is the InChIKey of N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GPPLISAKEWPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-15-8-10(7-11(15)16)12(17)14-13(3)5-6-18-9(13)2/h9-10H,4-8H2,1-3H3,(H,14,17).
What are the key properties of N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136529929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).