4-methoxy-2-methylpyrrolidin-1-ium

C6H14NO+ — CID 163800280

IUPAC4-methoxy-2-methylpyrrolidin-1-ium
SMILESCOC1C[NH2+]C(C)C1
InChIInChI=1S/C6H13NO/c1-5-3-6(8-2)4-7-5/h5-7H,3-4H2,1-2H3/p+1
InChIKeyNEISDEAQLMENHN-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.64
Rot. Bonds1

About 4-methoxy-2-methylpyrrolidin-1-ium

4-methoxy-2-methylpyrrolidin-1-ium (PubChem CID 163800280) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is 4-methoxy-2-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name4-methoxy-2-methylpyrrolidin-1-ium
PubChem CID163800280
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name4-methoxy-2-methylpyrrolidin-1-ium
SMILESCOC1C[NH2+]C(C)C1
InChIInChI=1S/C6H13NO/c1-5-3-6(8-2)4-7-5/h5-7H,3-4H2,1-2H3/p+1
InChIKeyNEISDEAQLMENHN-UHFFFAOYSA-O
XLogP-0.64
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpyrrolidin-1-ium?
The IUPAC name of 4-methoxy-2-methylpyrrolidin-1-ium (CID 163800280) is 4-methoxy-2-methylpyrrolidin-1-ium.
What is the SMILES notation for 4-methoxy-2-methylpyrrolidin-1-ium?
The canonical SMILES for 4-methoxy-2-methylpyrrolidin-1-ium is COC1C[NH2+]C(C)C1.
What is the InChIKey of 4-methoxy-2-methylpyrrolidin-1-ium?
The InChIKey is NEISDEAQLMENHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c1-5-3-6(8-2)4-7-5/h5-7H,3-4H2,1-2H3/p+1.
What are the key properties of 4-methoxy-2-methylpyrrolidin-1-ium?
4-methoxy-2-methylpyrrolidin-1-ium has a molecular weight of 116.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpyrrolidin-1-ium is sourced from PubChem (CID 163800280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).