[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C13H17ClN2O — CID 155980154

IUPAC[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1ccc(Cl)cn1)C2
InChIInChI=1S/C13H17ClN2O/c14-11-3-4-12(15-6-11)16-7-10-2-1-5-13(10,8-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2
InChIKeyJVWRZIDJMAIJIL-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.33
Rot. Bonds2

About [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 155980154) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID155980154
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1ccc(Cl)cn1)C2
InChIInChI=1S/C13H17ClN2O/c14-11-3-4-12(15-6-11)16-7-10-2-1-5-13(10,8-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2
InChIKeyJVWRZIDJMAIJIL-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol 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 [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 155980154) is [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is OCC12CCCC1CN(c1ccc(Cl)cn1)C2.
What is the InChIKey of [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is JVWRZIDJMAIJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-3-4-12(15-6-11)16-7-10-2-1-5-13(10,8-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2.
What are the key properties of [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 252.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 155980154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).