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

C7H14ClNO2 — CID 127264226

IUPAC[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C7H13NO2.ClH/c9-4-6-1-5-2-8-3-7(5)10-6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeyJNUUERYDXCIDFS-LBZPYWGZSA-N
MW179.65 g/mol
LogP-0.22
Rot. Bonds1

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

[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride (PubChem CID 127264226) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride
PubChem CID127264226
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C7H13NO2.ClH/c9-4-6-1-5-2-8-3-7(5)10-6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeyJNUUERYDXCIDFS-LBZPYWGZSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;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 [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride (CID 127264226) is [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1C[C@H]2CNC[C@H]2O1.
What is the InChIKey of [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride?
The InChIKey is JNUUERYDXCIDFS-LBZPYWGZSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-4-6-1-5-2-8-3-7(5)10-6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1.
What are the key properties of [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride?
[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride is sourced from PubChem (CID 127264226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).