1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one

C6H9NO2 — CID 162751013

IUPAC1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one
SMILESO=C1OCC2CCNC12
InChIInChI=1S/C6H9NO2/c8-6-5-4(3-9-6)1-2-7-5/h4-5,7H,1-3H2
InChIKeyWEEALEMHMXHIJO-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.48
Rot. Bonds

About 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one

1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one (PubChem CID 162751013) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one.

Molecular Properties

Compound Name1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one
PubChem CID162751013
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one
SMILESO=C1OCC2CCNC12
InChIInChI=1S/C6H9NO2/c8-6-5-4(3-9-6)1-2-7-5/h4-5,7H,1-3H2
InChIKeyWEEALEMHMXHIJO-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one?
The IUPAC name of 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one (CID 162751013) is 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one.
What is the SMILES notation for 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one?
The canonical SMILES for 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one is O=C1OCC2CCNC12.
What is the InChIKey of 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one?
The InChIKey is WEEALEMHMXHIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-5-4(3-9-6)1-2-7-5/h4-5,7H,1-3H2.
What are the key properties of 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one?
1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one has a molecular weight of 127.14 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one is sourced from PubChem (CID 162751013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).