(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one

C6H9NO2 — CID 175661920

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C6H9NO2/c8-6-1-4-2-7-3-5(4)9-6/h4-5,7H,1-3H2/t4-,5+/m0/s1
InChIKeyWEFWZFBFVWKWKY-CRCLSJGQSA-N
MW127.14 g/mol
LogP-0.48
Rot. Bonds

About (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one

(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one (PubChem CID 175661920) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one
PubChem CID175661920
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C6H9NO2/c8-6-1-4-2-7-3-5(4)9-6/h4-5,7H,1-3H2/t4-,5+/m0/s1
InChIKeyWEFWZFBFVWKWKY-CRCLSJGQSA-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 (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one (CID 175661920) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one is O=C1C[C@H]2CNC[C@H]2O1.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one?
The InChIKey is WEFWZFBFVWKWKY-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-1-4-2-7-3-5(4)9-6/h4-5,7H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one?
(3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-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 (3aS,6aS)-3,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrol-2-one is sourced from PubChem (CID 175661920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).