5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C13H23NO — CID 115026607

IUPAC5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C2CCCCC2)CC2CNCC2C1
InChIInChI=1S/C13H23NO/c15-13(12-4-2-1-3-5-12)6-10-8-14-9-11(10)7-13/h10-12,14-15H,1-9H2
InChIKeyHXUZFJKEUXQJDP-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.93
Rot. Bonds1

About 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 115026607) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID115026607
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C2CCCCC2)CC2CNCC2C1
InChIInChI=1S/C13H23NO/c15-13(12-4-2-1-3-5-12)6-10-8-14-9-11(10)7-13/h10-12,14-15H,1-9H2
InChIKeyHXUZFJKEUXQJDP-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 115026607) is 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1(C2CCCCC2)CC2CNCC2C1.
What is the InChIKey of 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is HXUZFJKEUXQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(12-4-2-1-3-5-12)6-10-8-14-9-11(10)7-13/h10-12,14-15H,1-9H2.
What are the key properties of 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 209.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 115026607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).