5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C13H18N2O — CID 140945391

IUPAC5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(Cc2ccncc2)CC2CNCC2C1
InChIInChI=1S/C13H18N2O/c16-13(5-10-1-3-14-4-2-10)6-11-8-15-9-12(11)7-13/h1-4,11-12,15-16H,5-9H2
InChIKeyREXPPRLGSXKWSO-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.98
Rot. Bonds2

About 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 140945391) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID140945391
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(Cc2ccncc2)CC2CNCC2C1
InChIInChI=1S/C13H18N2O/c16-13(5-10-1-3-14-4-2-10)6-11-8-15-9-12(11)7-13/h1-4,11-12,15-16H,5-9H2
InChIKeyREXPPRLGSXKWSO-UHFFFAOYSA-N
XLogP0.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 140945391) is 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1(Cc2ccncc2)CC2CNCC2C1.
What is the InChIKey of 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is REXPPRLGSXKWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(5-10-1-3-14-4-2-10)6-11-8-15-9-12(11)7-13/h1-4,11-12,15-16H,5-9H2.
What are the key properties of 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 218.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 140945391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).