3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine

C9H17NO2 — CID 64569723

IUPAC3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
SMILESCOCC1CCN(CC2CO2)C1
InChIInChI=1S/C9H17NO2/c1-11-6-8-2-3-10(4-8)5-9-7-12-9/h8-9H,2-7H2,1H3
InChIKeyLHMYYMKZOOMBIG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.35
Rot. Bonds4

About 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine

3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine (PubChem CID 64569723) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
PubChem CID64569723
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
SMILESCOCC1CCN(CC2CO2)C1
InChIInChI=1S/C9H17NO2/c1-11-6-8-2-3-10(4-8)5-9-7-12-9/h8-9H,2-7H2,1H3
InChIKeyLHMYYMKZOOMBIG-UHFFFAOYSA-N
XLogP0.35
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
CID 63972885
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
CID 66245194
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 64582386
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 64596935
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine (CID 64569723) is 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine is COCC1CCN(CC2CO2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine?
The InChIKey is LHMYYMKZOOMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-6-8-2-3-10(4-8)5-9-7-12-9/h8-9H,2-7H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine?
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 64569723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).