1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine

C13H21NO — CID 169241997

IUPAC1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCN(Cc2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-11(2)7-12-3-5-14(8-12)9-13-4-6-15-10-13/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyHAGQJDPYCVMYOD-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds4

About 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine

1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine (PubChem CID 169241997) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine
PubChem CID169241997
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCN(Cc2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-11(2)7-12-3-5-14(8-12)9-13-4-6-15-10-13/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyHAGQJDPYCVMYOD-UHFFFAOYSA-N
XLogP3.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine (CID 169241997) is 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine is CC(C)CC1CCN(Cc2ccoc2)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine?
The InChIKey is HAGQJDPYCVMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)7-12-3-5-14(8-12)9-13-4-6-15-10-13/h4,6,10-12H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine?
1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 169241997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).