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

C6H12ClNO — CID 66582615

IUPAC(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
SMILESC1C[C@@H]2CNC[C@@H]2O1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-8-6-4-7-3-5(1)6;/h5-7H,1-4H2;1H/t5-,6+;/m1./s1
InChIKeyQMLYGZYYFLBLBI-IBTYICNHSA-N
MW149.62 g/mol
LogP0.42
Rot. Bonds

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

(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride (PubChem CID 66582615) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
PubChem CID66582615
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
SMILESC1C[C@@H]2CNC[C@@H]2O1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-8-6-4-7-3-5(1)6;/h5-7H,1-4H2;1H/t5-,6+;/m1./s1
InChIKeyQMLYGZYYFLBLBI-IBTYICNHSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The IUPAC name of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride (CID 66582615) is (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride.
What is the SMILES notation for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The canonical SMILES for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride is C1C[C@@H]2CNC[C@@H]2O1.Cl.
What is the InChIKey of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
The InChIKey is QMLYGZYYFLBLBI-IBTYICNHSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-8-6-4-7-3-5(1)6;/h5-7H,1-4H2;1H/t5-,6+;/m1./s1.
What are the key properties of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride?
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride is sourced from PubChem (CID 66582615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).