(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride

C11H18Cl2N2O — CID 155834911

IUPAC(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
SMILESCl.Cl.c1coc(CN2C[C@@H]3CCN[C@@H]3C2)c1
InChIInChI=1S/C11H16N2O.2ClH/c1-2-10(14-5-1)7-13-6-9-3-4-12-11(9)8-13;;/h1-2,5,9,11-12H,3-4,6-8H2;2*1H/t9-,11+;;/m0../s1
InChIKeySQVKWIAEJVSNPV-NAUXGDFUSA-N
MW265.18 g/mol
LogP1.92
Rot. Bonds2

About (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride

(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride (PubChem CID 155834911) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride.

Molecular Properties

Compound Name(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
PubChem CID155834911
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
SMILESCl.Cl.c1coc(CN2C[C@@H]3CCN[C@@H]3C2)c1
InChIInChI=1S/C11H16N2O.2ClH/c1-2-10(14-5-1)7-13-6-9-3-4-12-11(9)8-13;;/h1-2,5,9,11-12H,3-4,6-8H2;2*1H/t9-,11+;;/m0../s1
InChIKeySQVKWIAEJVSNPV-NAUXGDFUSA-N
XLogP1.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride with MolForge

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Related Compounds

1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571327
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
(4aS,7aS)-6-(1-benzofuran-2-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887013
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
6-[(3-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678662
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 43603970
(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 133125856
2-(furan-2-ylmethyl)-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 134071488
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The IUPAC name of (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride (CID 155834911) is (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride.
What is the SMILES notation for (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The canonical SMILES for (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride is Cl.Cl.c1coc(CN2C[C@@H]3CCN[C@@H]3C2)c1.
What is the InChIKey of (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The InChIKey is SQVKWIAEJVSNPV-NAUXGDFUSA-N. The full InChI is InChI=1S/C11H16N2O.2ClH/c1-2-10(14-5-1)7-13-6-9-3-4-12-11(9)8-13;;/h1-2,5,9,11-12H,3-4,6-8H2;2*1H/t9-,11+;;/m0../s1.
What are the key properties of (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride has a molecular weight of 265.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride is sourced from PubChem (CID 155834911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).