1-(furan-2-ylmethyl)pyrrolidine

C9H13NO — CID 3768984

IUPAC1-(furan-2-ylmethyl)pyrrolidine
SMILESc1coc(CN2CCCC2)c1
InChIInChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2
InChIKeyOTCUCAGXTNHLEI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.88
Rot. Bonds2

About 1-(furan-2-ylmethyl)pyrrolidine

1-(furan-2-ylmethyl)pyrrolidine (PubChem CID 3768984) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)pyrrolidine
PubChem CID3768984
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(furan-2-ylmethyl)pyrrolidine
SMILESc1coc(CN2CCCC2)c1
InChIInChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2
InChIKeyOTCUCAGXTNHLEI-UHFFFAOYSA-N
XLogP1.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)pyrrolidine?
The IUPAC name of 1-(furan-2-ylmethyl)pyrrolidine (CID 3768984) is 1-(furan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(furan-2-ylmethyl)pyrrolidine is c1coc(CN2CCCC2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)pyrrolidine?
The InChIKey is OTCUCAGXTNHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(furan-2-ylmethyl)pyrrolidine?
1-(furan-2-ylmethyl)pyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 3768984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).