(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine

C9H19NO2 — CID 59895925

IUPAC(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@H]1CC[C@H](COC)N1C
InChIInChI=1S/C9H19NO2/c1-10-8(6-11-2)4-5-9(10)7-12-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyYLRPSDKGBXKELT-RKDXNWHRSA-N
MW173.26 g/mol
LogP0.74
Rot. Bonds4

About (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine

(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine (PubChem CID 59895925) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine
PubChem CID59895925
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@H]1CC[C@H](COC)N1C
InChIInChI=1S/C9H19NO2/c1-10-8(6-11-2)4-5-9(10)7-12-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyYLRPSDKGBXKELT-RKDXNWHRSA-N
XLogP0.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine (CID 59895925) is (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine is COC[C@H]1CC[C@H](COC)N1C.
What is the InChIKey of (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is YLRPSDKGBXKELT-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10-8(6-11-2)4-5-9(10)7-12-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine?
(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 59895925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).