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

C11H13ClN2O2 — CID 106688551

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CC2CNCC2C1
InChIInChI=1S/C11H13ClN2O2/c12-10-9(1-2-16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2
InChIKeyUSQGEKJJWCGCHT-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.22
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone (PubChem CID 106688551) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
PubChem CID106688551
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CC2CNCC2C1
InChIInChI=1S/C11H13ClN2O2/c12-10-9(1-2-16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2
InChIKeyUSQGEKJJWCGCHT-UHFFFAOYSA-N
XLogP1.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(2-chlorofuran-3-yl)methanone
CID 106688634
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-chlorofuran-3-yl)methanone
CID 106688428
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 66211015
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2,6-dichlorophenyl)methanone
CID 66212765

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone (CID 106688551) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone is O=C(c1ccoc1Cl)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone?
The InChIKey is USQGEKJJWCGCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-9(1-2-16-10)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-(2-chlorofuran-3-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.22, 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-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106688551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).