2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

C17H22N2O2 — CID 66244794

IUPAC2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)C1COc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2)14-8-18-7-11(14)9-19(17)16(20)13-10-21-15-6-4-3-5-12(13)15/h3-6,11,13-14,18H,7-10H2,1-2H3
InChIKeyGTFDPKAKEHXTIW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.62
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 66244794) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID66244794
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1(C)C2CNCC2CN1C(=O)C1COc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2)14-8-18-7-11(14)9-19(17)16(20)13-10-21-15-6-4-3-5-12(13)15/h3-6,11,13-14,18H,7-10H2,1-2H3
InChIKeyGTFDPKAKEHXTIW-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 66244794) is 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is CC1(C)C2CNCC2CN1C(=O)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is GTFDPKAKEHXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)14-8-18-7-11(14)9-19(17)16(20)13-10-21-15-6-4-3-5-12(13)15/h3-6,11,13-14,18H,7-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 66244794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).