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

C11H13BrN2O2 — CID 24945033

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC2CNCC2C1
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2
InChIKeyGGPRUUQFBUCJMT-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.33
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone (PubChem CID 24945033) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone
PubChem CID24945033
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC2CNCC2C1
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2
InChIKeyGGPRUUQFBUCJMT-UHFFFAOYSA-N
XLogP1.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-Bromo-N~2~-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
5-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 3979269
5-Bromo-N-cyclohexyl-2-furamide
CID 600329
5-bromo-N-(2-(cyclohex-1-en-1-yl)ethyl)furan-2-carboxamide
CID 729887
3-(5-Chloro-2-furoyl)-3,7-diazabicyclo(3.3.0)octane
CID 24795080
Furan-2-yl(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone
CID 24945028
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylfuran-2-yl)methanone
CID 24945029
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methylfuran-2-yl)methanone
CID 24945030
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-chlorofuran-2-yl)methanone
CID 24945031

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone (CID 24945033) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone is O=C(c1ccc(Br)o1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone?
The InChIKey is GGPRUUQFBUCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.33, 1 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-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 24945033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).