(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one

C7H10O3 — CID 11788349

IUPAC(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one
SMILESO=C1C[C@H]2CCCO[C@H]2O1
InChIInChI=1S/C7H10O3/c8-6-4-5-2-1-3-9-7(5)10-6/h5,7H,1-4H2/t5-,7+/m1/s1
InChIKeyZGGQKJXUTBXYSY-VDTYLAMSSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds

About (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one

(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one (PubChem CID 11788349) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one.

Molecular Properties

Compound Name(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one
PubChem CID11788349
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one
SMILESO=C1C[C@H]2CCCO[C@H]2O1
InChIInChI=1S/C7H10O3/c8-6-4-5-2-1-3-9-7(5)10-6/h5,7H,1-4H2/t5-,7+/m1/s1
InChIKeyZGGQKJXUTBXYSY-VDTYLAMSSA-N
XLogP0.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one?
The IUPAC name of (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one (CID 11788349) is (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one.
What is the SMILES notation for (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one?
The canonical SMILES for (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one is O=C1C[C@H]2CCCO[C@H]2O1.
What is the InChIKey of (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one?
The InChIKey is ZGGQKJXUTBXYSY-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-4-5-2-1-3-9-7(5)10-6/h5,7H,1-4H2/t5-,7+/m1/s1.
What are the key properties of (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one?
(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one is sourced from PubChem (CID 11788349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).