2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine

C12H19NO2 — CID 117270642

IUPAC2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine
SMILESCOCC1(C)CC(c2ccc(C)o2)CN1
InChIInChI=1S/C12H19NO2/c1-9-4-5-11(15-9)10-6-12(2,8-14-3)13-7-10/h4-5,10,13H,6-8H2,1-3H3
InChIKeyWDUXAKFTFAJVIN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds3

About 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine

2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine (PubChem CID 117270642) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine
PubChem CID117270642
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine
SMILESCOCC1(C)CC(c2ccc(C)o2)CN1
InChIInChI=1S/C12H19NO2/c1-9-4-5-11(15-9)10-6-12(2,8-14-3)13-7-10/h4-5,10,13H,6-8H2,1-3H3
InChIKeyWDUXAKFTFAJVIN-UHFFFAOYSA-N
XLogP2.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine (CID 117270642) is 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine is COCC1(C)CC(c2ccc(C)o2)CN1.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine?
The InChIKey is WDUXAKFTFAJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-4-5-11(15-9)10-6-12(2,8-14-3)13-7-10/h4-5,10,13H,6-8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine?
2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine is sourced from PubChem (CID 117270642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).