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

C11H13ClN2O2 — CID 68601109

IUPAC2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone
SMILESO=C(c1occc1Cl)N1CCC2NCCC21
InChIInChI=1S/C11H13ClN2O2/c12-7-3-6-16-10(7)11(15)14-5-2-8-9(14)1-4-13-8/h3,6,8-9,13H,1-2,4-5H2
InChIKeySMGUMGKKVAUIHN-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.51
Rot. Bonds1

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

2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone (PubChem CID 68601109) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone
PubChem CID68601109
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone
SMILESO=C(c1occc1Cl)N1CCC2NCCC21
InChIInChI=1S/C11H13ClN2O2/c12-7-3-6-16-10(7)11(15)14-5-2-8-9(14)1-4-13-8/h3,6,8-9,13H,1-2,4-5H2
InChIKeySMGUMGKKVAUIHN-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone?
The IUPAC name of 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone (CID 68601109) is 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone is O=C(c1occc1Cl)N1CCC2NCCC21.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone?
The InChIKey is SMGUMGKKVAUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-7-3-6-16-10(7)11(15)14-5-2-8-9(14)1-4-13-8/h3,6,8-9,13H,1-2,4-5H2.
What are the key properties of 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone?
2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl-(3-chlorofuran-2-yl)methanone is sourced from PubChem (CID 68601109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).