1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one

C8H16NO2+ — CID 163246560

IUPAC1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one
SMILESCO[N+]1(C)C(=O)CCC1(C)C
InChIInChI=1S/C8H16NO2/c1-8(2)6-5-7(10)9(8,3)11-4/h5-6H2,1-4H3/q+1
InChIKeySTDZQQRYBDTTRS-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.09
Rot. Bonds1

About 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one

1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one (PubChem CID 163246560) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one.

Molecular Properties

Compound Name1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one
PubChem CID163246560
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one
SMILESCO[N+]1(C)C(=O)CCC1(C)C
InChIInChI=1S/C8H16NO2/c1-8(2)6-5-7(10)9(8,3)11-4/h5-6H2,1-4H3/q+1
InChIKeySTDZQQRYBDTTRS-UHFFFAOYSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one?
The IUPAC name of 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one (CID 163246560) is 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one.
What is the SMILES notation for 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one?
The canonical SMILES for 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one is CO[N+]1(C)C(=O)CCC1(C)C.
What is the InChIKey of 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one?
The InChIKey is STDZQQRYBDTTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-8(2)6-5-7(10)9(8,3)11-4/h5-6H2,1-4H3/q+1.
What are the key properties of 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one?
1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one has a molecular weight of 158.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,5,5-trimethylpyrrolidin-1-ium-2-one is sourced from PubChem (CID 163246560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).