1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone

C14H16ClNO2 — CID 71444237

IUPAC1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C14H16ClNO2/c15-13-3-1-2-10(4-13)5-14(17)16-6-11-8-18-9-12(11)7-16/h1-4,11-12H,5-9H2/t11-,12+
InChIKeyQAQCBFPHOPYLLC-TXEJJXNPSA-N
MW265.74 g/mol
LogP1.99
Rot. Bonds2

About 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone

1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone (PubChem CID 71444237) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone
PubChem CID71444237
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C14H16ClNO2/c15-13-3-1-2-10(4-13)5-14(17)16-6-11-8-18-9-12(11)7-16/h1-4,11-12H,5-9H2/t11-,12+
InChIKeyQAQCBFPHOPYLLC-TXEJJXNPSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone (CID 71444237) is 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)N1C[C@H]2COC[C@H]2C1.
What is the InChIKey of 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone?
The InChIKey is QAQCBFPHOPYLLC-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-13-3-1-2-10(4-13)5-14(17)16-6-11-8-18-9-12(11)7-16/h1-4,11-12H,5-9H2/t11-,12+.
What are the key properties of 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone?
1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone has a molecular weight of 265.74 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 71444237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).