1-(2-aminooxyethoxy)pyrrolidin-2-one

C6H12N2O3 — CID 67748669

IUPAC1-(2-aminooxyethoxy)pyrrolidin-2-one
SMILESNOCCON1CCCC1=O
InChIInChI=1S/C6H12N2O3/c7-10-4-5-11-8-3-1-2-6(8)9/h1-5,7H2
InChIKeyKUIHDWMHMNWIPE-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.57
Rot. Bonds4

About 1-(2-aminooxyethoxy)pyrrolidin-2-one

1-(2-aminooxyethoxy)pyrrolidin-2-one (PubChem CID 67748669) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(2-aminooxyethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-aminooxyethoxy)pyrrolidin-2-one
PubChem CID67748669
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(2-aminooxyethoxy)pyrrolidin-2-one
SMILESNOCCON1CCCC1=O
InChIInChI=1S/C6H12N2O3/c7-10-4-5-11-8-3-1-2-6(8)9/h1-5,7H2
InChIKeyKUIHDWMHMNWIPE-UHFFFAOYSA-N
XLogP-0.57
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminooxyethoxy)pyrrolidin-2-one?
The IUPAC name of 1-(2-aminooxyethoxy)pyrrolidin-2-one (CID 67748669) is 1-(2-aminooxyethoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-aminooxyethoxy)pyrrolidin-2-one?
The canonical SMILES for 1-(2-aminooxyethoxy)pyrrolidin-2-one is NOCCON1CCCC1=O.
What is the InChIKey of 1-(2-aminooxyethoxy)pyrrolidin-2-one?
The InChIKey is KUIHDWMHMNWIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-10-4-5-11-8-3-1-2-6(8)9/h1-5,7H2.
What are the key properties of 1-(2-aminooxyethoxy)pyrrolidin-2-one?
1-(2-aminooxyethoxy)pyrrolidin-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminooxyethoxy)pyrrolidin-2-one is sourced from PubChem (CID 67748669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).