2-(5-methylfuran-2-yl)pyrrolidin-3-ol

C9H13NO2 — CID 82413814

IUPAC2-(5-methylfuran-2-yl)pyrrolidin-3-ol
SMILESCc1ccc(C2NCCC2O)o1
InChIInChI=1S/C9H13NO2/c1-6-2-3-8(12-6)9-7(11)4-5-10-9/h2-3,7,9-11H,4-5H2,1H3
InChIKeyAZFGQZYKZIZKKN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds1

About 2-(5-methylfuran-2-yl)pyrrolidin-3-ol

2-(5-methylfuran-2-yl)pyrrolidin-3-ol (PubChem CID 82413814) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)pyrrolidin-3-ol
PubChem CID82413814
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(5-methylfuran-2-yl)pyrrolidin-3-ol
SMILESCc1ccc(C2NCCC2O)o1
InChIInChI=1S/C9H13NO2/c1-6-2-3-8(12-6)9-7(11)4-5-10-9/h2-3,7,9-11H,4-5H2,1H3
InChIKeyAZFGQZYKZIZKKN-UHFFFAOYSA-N
XLogP0.98
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)pyrrolidin-3-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)pyrrolidin-3-ol (CID 82413814) is 2-(5-methylfuran-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)pyrrolidin-3-ol is Cc1ccc(C2NCCC2O)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)pyrrolidin-3-ol?
The InChIKey is AZFGQZYKZIZKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-2-3-8(12-6)9-7(11)4-5-10-9/h2-3,7,9-11H,4-5H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)pyrrolidin-3-ol?
2-(5-methylfuran-2-yl)pyrrolidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 82413814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).