3-methoxy-2-methylpyrrolidine

C6H13NO — CID 105427057

IUPAC3-methoxy-2-methylpyrrolidine
SMILESCOC1CCNC1C
InChIInChI=1S/C6H13NO/c1-5-6(8-2)3-4-7-5/h5-7H,3-4H2,1-2H3
InChIKeyMYIPSYQOUBCKFD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds1

About 3-methoxy-2-methylpyrrolidine

3-methoxy-2-methylpyrrolidine (PubChem CID 105427057) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methoxy-2-methylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-2-methylpyrrolidine
PubChem CID105427057
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methoxy-2-methylpyrrolidine
SMILESCOC1CCNC1C
InChIInChI=1S/C6H13NO/c1-5-6(8-2)3-4-7-5/h5-7H,3-4H2,1-2H3
InChIKeyMYIPSYQOUBCKFD-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methoxypyrrolidine-2-carboxamide
CID 58204442
2,3-dimethylpyrrolidine;ethane
CID 90972313
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
4-methoxy-2-methylpiperidine
CID 23546928
3-iodo-2-methylpyrrolidine
CID 118329704
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
3-methoxy-2-(4-methylphenyl)pyrrolidine
CID 105445330
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
N,N,2-trimethylpyrrolidin-3-amine
CID 54327698
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
CID 135395865

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylpyrrolidine?
The IUPAC name of 3-methoxy-2-methylpyrrolidine (CID 105427057) is 3-methoxy-2-methylpyrrolidine.
What is the SMILES notation for 3-methoxy-2-methylpyrrolidine?
The canonical SMILES for 3-methoxy-2-methylpyrrolidine is COC1CCNC1C.
What is the InChIKey of 3-methoxy-2-methylpyrrolidine?
The InChIKey is MYIPSYQOUBCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-6(8-2)3-4-7-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-2-methylpyrrolidine?
3-methoxy-2-methylpyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpyrrolidine is sourced from PubChem (CID 105427057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).