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

C12H15FN2O2 — CID 59268957

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone
SMILESCc1cc(F)c(C(=O)N2CC3CNCC3C2)o1
InChIInChI=1S/C12H15FN2O2/c1-7-2-10(13)11(17-7)12(16)15-5-8-3-14-4-9(8)6-15/h2,8-9,14H,3-6H2,1H3
InChIKeyZBKNVHICMHEOLA-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.02
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone (PubChem CID 59268957) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone
PubChem CID59268957
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone
SMILESCc1cc(F)c(C(=O)N2CC3CNCC3C2)o1
InChIInChI=1S/C12H15FN2O2/c1-7-2-10(13)11(17-7)12(16)15-5-8-3-14-4-9(8)6-15/h2,8-9,14H,3-6H2,1H3
InChIKeyZBKNVHICMHEOLA-UHFFFAOYSA-N
XLogP1.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-Chloro-2-furoyl)-3,7-diazabicyclo(3.3.0)octane
CID 24795080
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
AZD-1446 free base
CID 96568204
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
(3-Bromo-2-furanyl)(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone
CID 24945032
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-bromofuran-2-yl)methanone
CID 24945033
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methylfuran-2-yl)methanone
CID 24945299
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-fluorofuran-2-yl)methanone
CID 59268925
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-fluorofuran-2-yl)methanone
CID 59268932
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluorofuran-2-yl)methanone
CID 59268940

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone (CID 59268957) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone is Cc1cc(F)c(C(=O)N2CC3CNCC3C2)o1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone?
The InChIKey is ZBKNVHICMHEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-2-10(13)11(17-7)12(16)15-5-8-3-14-4-9(8)6-15/h2,8-9,14H,3-6H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-fluoro-5-methylfuran-2-yl)methanone has a molecular weight of 238.26 g/mol, XLogP of 1.02, 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-(3-fluoro-5-methylfuran-2-yl)methanone is sourced from PubChem (CID 59268957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).