2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone

C17H18N2O2 — CID 24945034

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)co1)N1CC2CNCC2C1
InChIInChI=1S/C17H18N2O2/c20-17(19-9-14-7-18-8-15(14)10-19)16-6-13(11-21-16)12-4-2-1-3-5-12/h1-6,11,14-15,18H,7-10H2
InChIKeyVZTZBWKJSNARCS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.24
Rot. Bonds2

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone (PubChem CID 24945034) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone
PubChem CID24945034
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)co1)N1CC2CNCC2C1
InChIInChI=1S/C17H18N2O2/c20-17(19-9-14-7-18-8-15(14)10-19)16-6-13(11-21-16)12-4-2-1-3-5-12/h1-6,11,14-15,18H,7-10H2
InChIKeyVZTZBWKJSNARCS-UHFFFAOYSA-N
XLogP2.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone (CID 24945034) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone is O=C(c1cc(-c2ccccc2)co1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone?
The InChIKey is VZTZBWKJSNARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-9-14-7-18-8-15(14)10-19)16-6-13(11-21-16)12-4-2-1-3-5-12/h1-6,11,14-15,18H,7-10H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone is sourced from PubChem (CID 24945034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).