2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one

C9H13NO3 — CID 13075211

IUPAC2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one
SMILESCOC1OC(=O)C=C1N1CCCC1
InChIInChI=1S/C9H13NO3/c1-12-9-7(6-8(11)13-9)10-4-2-3-5-10/h6,9H,2-5H2,1H3
InChIKeyIRIUWNBUOLHDHL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.50
Rot. Bonds2

About 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one

2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one (PubChem CID 13075211) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one.

Molecular Properties

Compound Name2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one
PubChem CID13075211
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one
SMILESCOC1OC(=O)C=C1N1CCCC1
InChIInChI=1S/C9H13NO3/c1-12-9-7(6-8(11)13-9)10-4-2-3-5-10/h6,9H,2-5H2,1H3
InChIKeyIRIUWNBUOLHDHL-UHFFFAOYSA-N
XLogP0.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one?
The IUPAC name of 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one (CID 13075211) is 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one.
What is the SMILES notation for 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one?
The canonical SMILES for 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one is COC1OC(=O)C=C1N1CCCC1.
What is the InChIKey of 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one?
The InChIKey is IRIUWNBUOLHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-9-7(6-8(11)13-9)10-4-2-3-5-10/h6,9H,2-5H2,1H3.
What are the key properties of 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one?
2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one has a molecular weight of 183.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pyrrolidin-1-yl-2H-furan-5-one is sourced from PubChem (CID 13075211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).