(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride

C7H14ClNO — CID 163337889

IUPAC(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
SMILESC[C@H]1C[C@H]2CNC[C@H]2O1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-5-2-6-3-8-4-7(6)9-5;/h5-8H,2-4H2,1H3;1H/t5-,6-,7+;/m0./s1
InChIKeyJBIOQMTUESIJOM-LBZPYWGZSA-N
MW163.65 g/mol
LogP0.81
Rot. Bonds

About (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride

(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride (PubChem CID 163337889) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
PubChem CID163337889
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
SMILESC[C@H]1C[C@H]2CNC[C@H]2O1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-5-2-6-3-8-4-7(6)9-5;/h5-8H,2-4H2,1H3;1H/t5-,6-,7+;/m0./s1
InChIKeyJBIOQMTUESIJOM-LBZPYWGZSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The IUPAC name of (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride (CID 163337889) is (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride.
What is the SMILES notation for (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The canonical SMILES for (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride is C[C@H]1C[C@H]2CNC[C@H]2O1.Cl.
What is the InChIKey of (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The InChIKey is JBIOQMTUESIJOM-LBZPYWGZSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-5-2-6-3-8-4-7(6)9-5;/h5-8H,2-4H2,1H3;1H/t5-,6-,7+;/m0./s1.
What are the key properties of (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride is sourced from PubChem (CID 163337889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).