[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone

C13H15NO2 — CID 71444241

IUPAC[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C13H15NO2/c15-13(10-4-2-1-3-5-10)14-6-11-8-16-9-12(11)7-14/h1-5,11-12H,6-9H2/t11-,12+
InChIKeyZSYULWHBPBAOKV-TXEJJXNPSA-N
MW217.27 g/mol
LogP1.40
Rot. Bonds1

About [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone

[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone (PubChem CID 71444241) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone
PubChem CID71444241
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C13H15NO2/c15-13(10-4-2-1-3-5-10)14-6-11-8-16-9-12(11)7-14/h1-5,11-12H,6-9H2/t11-,12+
InChIKeyZSYULWHBPBAOKV-TXEJJXNPSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone?
The IUPAC name of [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone (CID 71444241) is [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone.
What is the SMILES notation for [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone?
The canonical SMILES for [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone is O=C(c1ccccc1)N1C[C@H]2COC[C@H]2C1.
What is the InChIKey of [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone?
The InChIKey is ZSYULWHBPBAOKV-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(10-4-2-1-3-5-10)14-6-11-8-16-9-12(11)7-14/h1-5,11-12H,6-9H2/t11-,12+.
What are the key properties of [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone?
[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone has a molecular weight of 217.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-phenylmethanone is sourced from PubChem (CID 71444241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).