3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one

C6H9NO2 — CID 175700137

IUPAC3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one
SMILESO=C1CC2CCNC2O1
InChIInChI=1S/C6H9NO2/c8-5-3-4-1-2-7-6(4)9-5/h4,6-7H,1-3H2
InChIKeyAZUGVQHCRWCYIZ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.13
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one

3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one (PubChem CID 175700137) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one
PubChem CID175700137
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one
SMILESO=C1CC2CCNC2O1
InChIInChI=1S/C6H9NO2/c8-5-3-4-1-2-7-6(4)9-5/h4,6-7H,1-3H2
InChIKeyAZUGVQHCRWCYIZ-UHFFFAOYSA-N
XLogP-0.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxa-7-azaspiro[4.4]nonan-3-one
CID 168917725
Oxolan-3-ylmethyl 2-pyrrolidin-3-ylacetate
CID 65945659
CID 158754653
CID 158754653
(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one
CID 175661920

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one?
The IUPAC name of 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one (CID 175700137) is 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one is O=C1CC2CCNC2O1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one?
The InChIKey is AZUGVQHCRWCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-3-4-1-2-7-6(4)9-5/h4,6-7H,1-3H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one?
3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one is sourced from PubChem (CID 175700137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).