2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol

C19H27NO — CID 102894018

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1C1NCC2CCCC21
InChIInChI=1S/C19H27NO/c21-18-10-9-14(13-5-2-1-3-6-13)11-17(18)19-16-8-4-7-15(16)12-20-19/h1-3,5-6,14-21H,4,7-12H2
InChIKeyKUOOUJGYHHPBCD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.32
Rot. Bonds2

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol (PubChem CID 102894018) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol
PubChem CID102894018
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol
SMILESOC1CCC(c2ccccc2)CC1C1NCC2CCCC21
InChIInChI=1S/C19H27NO/c21-18-10-9-14(13-5-2-1-3-6-13)11-17(18)19-16-8-4-7-15(16)12-20-19/h1-3,5-6,14-21H,4,7-12H2
InChIKeyKUOOUJGYHHPBCD-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol 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-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol (CID 102894018) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol is OC1CCC(c2ccccc2)CC1C1NCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol?
The InChIKey is KUOOUJGYHHPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-18-10-9-14(13-5-2-1-3-6-13)11-17(18)19-16-8-4-7-15(16)12-20-19/h1-3,5-6,14-21H,4,7-12H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 102894018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).