2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone

C12H22N2O3 — CID 113450182

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOC1(CNCC(=O)N2CCCC2)CCOC1
InChIInChI=1S/C12H22N2O3/c1-16-12(4-7-17-10-12)9-13-8-11(15)14-5-2-3-6-14/h13H,2-10H2,1H3
InChIKeyQAUVXTUNKJTYDH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 113450182) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID113450182
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOC1(CNCC(=O)N2CCCC2)CCOC1
InChIInChI=1S/C12H22N2O3/c1-16-12(4-7-17-10-12)9-13-8-11(15)14-5-2-3-6-14/h13H,2-10H2,1H3
InChIKeyQAUVXTUNKJTYDH-UHFFFAOYSA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 113450182) is 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone is COC1(CNCC(=O)N2CCCC2)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is QAUVXTUNKJTYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-12(4-7-17-10-12)9-13-8-11(15)14-5-2-3-6-14/h13H,2-10H2,1H3.
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 242.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113450182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).