acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one

C10H15NO4 — CID 162319860

IUPACacetic acid;3-pyrrolidin-1-yl-2H-furan-5-one
SMILESCC(=O)O.O=C1C=C(N2CCCC2)CO1
InChIInChI=1S/C8H11NO2.C2H4O2/c10-8-5-7(6-11-8)9-3-1-2-4-9;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
InChIKeyZDORFJHDSQKOFD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.61
Rot. Bonds1

About acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one

acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one (PubChem CID 162319860) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one.

Molecular Properties

Compound Nameacetic acid;3-pyrrolidin-1-yl-2H-furan-5-one
PubChem CID162319860
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameacetic acid;3-pyrrolidin-1-yl-2H-furan-5-one
SMILESCC(=O)O.O=C1C=C(N2CCCC2)CO1
InChIInChI=1S/C8H11NO2.C2H4O2/c10-8-5-7(6-11-8)9-3-1-2-4-9;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
InChIKeyZDORFJHDSQKOFD-UHFFFAOYSA-N
XLogP0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one?
The IUPAC name of acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one (CID 162319860) is acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one.
What is the SMILES notation for acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one?
The canonical SMILES for acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one is CC(=O)O.O=C1C=C(N2CCCC2)CO1.
What is the InChIKey of acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one?
The InChIKey is ZDORFJHDSQKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H4O2/c10-8-5-7(6-11-8)9-3-1-2-4-9;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one?
acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one has a molecular weight of 213.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-pyrrolidin-1-yl-2H-furan-5-one is sourced from PubChem (CID 162319860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).