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

C11H15NO3 — CID 117270124

IUPACmethyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccc(C)o2)CN1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-9(12-6-8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyXLBHAHCCQHLCNW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.21
Rot. Bonds2

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

methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate (PubChem CID 117270124) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
PubChem CID117270124
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccc(C)o2)CN1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-9(12-6-8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3
InChIKeyXLBHAHCCQHLCNW-UHFFFAOYSA-N
XLogP1.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate (CID 117270124) is methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(c2ccc(C)o2)CN1.
What is the InChIKey of methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is XLBHAHCCQHLCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-10(15-7)8-5-9(12-6-8)11(13)14-2/h3-4,8-9,12H,5-6H2,1-2H3.
What are the key properties of methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate?
methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 117270124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).