1,2-bis(methoxymethyl)pyrrolidine

C8H17NO2 — CID 22475505

IUPAC1,2-bis(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1COC
InChIInChI=1S/C8H17NO2/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3
InChIKeyTXUNGYMOCTYJBG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds4

About 1,2-bis(methoxymethyl)pyrrolidine

1,2-bis(methoxymethyl)pyrrolidine (PubChem CID 22475505) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,2-bis(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1,2-bis(methoxymethyl)pyrrolidine
PubChem CID22475505
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1,2-bis(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1COC
InChIInChI=1S/C8H17NO2/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3
InChIKeyTXUNGYMOCTYJBG-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methoxymethyl)pyrrolidine?
The IUPAC name of 1,2-bis(methoxymethyl)pyrrolidine (CID 22475505) is 1,2-bis(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1,2-bis(methoxymethyl)pyrrolidine?
The canonical SMILES for 1,2-bis(methoxymethyl)pyrrolidine is COCC1CCCN1COC.
What is the InChIKey of 1,2-bis(methoxymethyl)pyrrolidine?
The InChIKey is TXUNGYMOCTYJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-6-8-4-3-5-9(8)7-11-2/h8H,3-7H2,1-2H3.
What are the key properties of 1,2-bis(methoxymethyl)pyrrolidine?
1,2-bis(methoxymethyl)pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methoxymethyl)pyrrolidine is sourced from PubChem (CID 22475505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).