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

C11H13ClN2O2 — CID 68602313

IUPAC3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone
SMILESO=C(c1occc1Cl)N1CCC2CNCC21
InChIInChI=1S/C11H13ClN2O2/c12-8-2-4-16-10(8)11(15)14-3-1-7-5-13-6-9(7)14/h2,4,7,9,13H,1,3,5-6H2
InChIKeyKRQNNISUTZECCZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.37
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone (PubChem CID 68602313) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone
PubChem CID68602313
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone
SMILESO=C(c1occc1Cl)N1CCC2CNCC21
InChIInChI=1S/C11H13ClN2O2/c12-8-2-4-16-10(8)11(15)14-3-1-7-5-13-6-9(7)14/h2,4,7,9,13H,1,3,5-6H2
InChIKeyKRQNNISUTZECCZ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone
CID 68601109
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-chlorophenyl)methanone
CID 43594709
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(furan-3-yl)methanone
CID 43594630
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80640867
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dichlorophenyl)methanone
CID 43594594
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879068
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-fluorophenyl)methanone
CID 124652211
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methylfuran-3-yl)methanone
CID 104978989
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2-fluorophenyl)methanone
CID 43594596
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080847
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3,4-dichlorophenyl)methanone
CID 102679214
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
CID 133133594

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone (CID 68602313) is 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone is O=C(c1occc1Cl)N1CCC2CNCC21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone?
The InChIKey is KRQNNISUTZECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-2-4-16-10(8)11(15)14-3-1-7-5-13-6-9(7)14/h2,4,7,9,13H,1,3,5-6H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone?
3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone is sourced from PubChem (CID 68602313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).