(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride

C7H14ClNO — CID 91800946

IUPAC(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
SMILESCl.O[C@@H]1CC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H13NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-9H,1-4H2;1H/t5-,6+,7-;/m1./s1
InChIKeyZWFNCJOAGYAXQO-FNCXLRSCSA-N
MW163.65 g/mol
LogP0.40
Rot. Bonds

About (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride

(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride (PubChem CID 91800946) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride.

Molecular Properties

Compound Name(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
PubChem CID91800946
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
SMILESCl.O[C@@H]1CC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C7H13NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-9H,1-4H2;1H/t5-,6+,7-;/m1./s1
InChIKeyZWFNCJOAGYAXQO-FNCXLRSCSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;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,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride?
The IUPAC name of (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride (CID 91800946) is (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride.
What is the SMILES notation for (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride?
The canonical SMILES for (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride is Cl.O[C@@H]1CC[C@@H]2CNC[C@@H]21.
What is the InChIKey of (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride?
The InChIKey is ZWFNCJOAGYAXQO-FNCXLRSCSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-9H,1-4H2;1H/t5-,6+,7-;/m1./s1.
What are the key properties of (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride?
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride is sourced from PubChem (CID 91800946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).