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

C7H14ClNO — CID 146296791

IUPAC(3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.O[C@H]1CC[C@@H]2CCN[C@@H]21
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1
InChIKeyPBDFQQDTULVCQA-NLRFIBDTSA-N
MW163.65 g/mol
LogP0.54
Rot. Bonds

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

(3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (PubChem CID 146296791) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.

Molecular Properties

Compound Name(3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
PubChem CID146296791
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.O[C@H]1CC[C@@H]2CCN[C@@H]21
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1
InChIKeyPBDFQQDTULVCQA-NLRFIBDTSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride with MolForge

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Related Compounds

Cyclopenta(b)pyrrol-6-ol, 1,2,3,4-tetrahydro-2-methyl-
CID 3056674
(3aR,5S,6aS)-octahydrocyclopenta[c]pyrrol-5-ol hydrochloride
CID 67281394
((2S,3aS,6aS)-octahydrocyclopenta(b)pyrrol-2-yl)methanol hydrochloride
CID 69129086
Octahydrocyclopenta[c]pyrrol-5-ol hydrochloride
CID 77259051
Octahydrocyclopenta[b]pyrrol-6-ol hydrochloride
CID 146296789
rac-(3aR,6R,6aS)-octahydrocyclopenta[b]pyrrol-6-olhydrochloride
CID 137943582
rac-(3R,3aR,6aS)-octahydrocyclopenta[b]pyrrol-3-ol hydrochloride
CID 137966047
rac-(3aR,6R,6aS)-octahydrocyclopenta[b]pyrrol-6-ol hydrochloride
CID 178189927
[(2S,3AS,6aS)-octahydrocyclopenta[b]pyrrol-2-yl]methanol
CID 14690414
Rel-(3S,3aS,6aR)-octahydrocyclopenta[b]pyrrol-3-ol
CID 135353780
Rel-(3aS,6R,6aR)-octahydrocyclopenta[b]pyrrol-6-ol
CID 124585351
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[b]pyrrol-2-ylmethanol
CID 14690413

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The IUPAC name of (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (CID 146296791) is (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.
What is the SMILES notation for (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The canonical SMILES for (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is Cl.O[C@H]1CC[C@@H]2CCN[C@@H]21.
What is the InChIKey of (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The InChIKey is PBDFQQDTULVCQA-NLRFIBDTSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1.
What are the key properties of (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
(3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is sourced from PubChem (CID 146296791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).