4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one

C7H12N2O2 — CID 163812652

IUPAC4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=C(ON)C(C)(C)NC1=O
InChIInChI=1S/C7H12N2O2/c1-4-5(11-8)7(2,3)9-6(4)10/h8H2,1-3H3,(H,9,10)
InChIKeyNOPZAGVRXHYCND-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.06
Rot. Bonds1

About 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one

4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one (PubChem CID 163812652) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one
PubChem CID163812652
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=C(ON)C(C)(C)NC1=O
InChIInChI=1S/C7H12N2O2/c1-4-5(11-8)7(2,3)9-6(4)10/h8H2,1-3H3,(H,9,10)
InChIKeyNOPZAGVRXHYCND-UHFFFAOYSA-N
XLogP0.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The IUPAC name of 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one (CID 163812652) is 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The canonical SMILES for 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one is CC1=C(ON)C(C)(C)NC1=O.
What is the InChIKey of 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The InChIKey is NOPZAGVRXHYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5(11-8)7(2,3)9-6(4)10/h8H2,1-3H3,(H,9,10).
What are the key properties of 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one?
4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 163812652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).