(3S)-3-(methoxymethyl)-1-methylpyrrolidine

C7H15NO — CID 58134409

IUPAC(3S)-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@H]1CCN(C)C1
InChIInChI=1S/C7H15NO/c1-8-4-3-7(5-8)6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOKNHPLAISBUQCL-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.58
Rot. Bonds2

About (3S)-3-(methoxymethyl)-1-methylpyrrolidine

(3S)-3-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 58134409) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1-methylpyrrolidine
PubChem CID58134409
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@H]1CCN(C)C1
InChIInChI=1S/C7H15NO/c1-8-4-3-7(5-8)6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOKNHPLAISBUQCL-ZETCQYMHSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
3-(Methoxymethyl)pyrrolidine
CID 22993433
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266
((3R)-1-methylpyrrolidin-3-yl)methanol hydrochloride
CID 155819587
3-(N,N-diethylaminomethyl)tetrahydrofuran
CID 14323080
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-Fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
3-(Difluoromethoxymethyl)-1-methylpyrrolidine
CID 131106863
(1-Ethylpyrrolidin-3-yl)methyl hypofluorite
CID 142317749
(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 148811782

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (3S)-3-(methoxymethyl)-1-methylpyrrolidine (CID 58134409) is (3S)-3-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-(methoxymethyl)-1-methylpyrrolidine is COC[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is OKNHPLAISBUQCL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-4-3-7(5-8)6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1-methylpyrrolidine?
(3S)-3-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 58134409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).