1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride

C7H14ClNO — CID 146296789

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.OC1CCC2CCNC12
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H
InChIKeyPBDFQQDTULVCQA-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.54
Rot. Bonds

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (PubChem CID 146296789) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
PubChem CID146296789
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.OC1CCC2CCNC12
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H
InChIKeyPBDFQQDTULVCQA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (CID 146296789) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is Cl.OC1CCC2CCNC12.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The InChIKey is PBDFQQDTULVCQA-UHFFFAOYSA-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.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
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 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is sourced from PubChem (CID 146296789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).