1-[(5-methylfuran-2-yl)methyl]pyrrolidine

C10H15NO — CID 529066

IUPAC1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2)o1
InChIInChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
InChIKeyIETSEKPJTAMXGM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.18
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methyl]pyrrolidine

1-[(5-methylfuran-2-yl)methyl]pyrrolidine (PubChem CID 529066) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine
PubChem CID529066
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2)o1
InChIInChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
InChIKeyIETSEKPJTAMXGM-UHFFFAOYSA-N
XLogP2.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine (CID 529066) is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine is Cc1ccc(CN2CCCC2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The InChIKey is IETSEKPJTAMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
1-[(5-methylfuran-2-yl)methyl]pyrrolidine has a molecular weight of 165.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 529066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).