2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol

C18H27NO — CID 115561354

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-14-7-9-15(10-8-14)18(20)13-19-11-16-5-3-6-17(16)12-19/h7-10,16-18,20H,2-6,11-13H2,1H3
InChIKeyQUVRZVVITJCHFP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.40
Rot. Bonds5

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol (PubChem CID 115561354) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
PubChem CID115561354
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-14-7-9-15(10-8-14)18(20)13-19-11-16-5-3-6-17(16)12-19/h7-10,16-18,20H,2-6,11-13H2,1H3
InChIKeyQUVRZVVITJCHFP-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
CID 170116951
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol
CID 155001254
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
(3aR,6aS)-2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818647

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol (CID 115561354) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2CC3CCCC3C2)cc1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is QUVRZVVITJCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-4-14-7-9-15(10-8-14)18(20)13-19-11-16-5-3-6-17(16)12-19/h7-10,16-18,20H,2-6,11-13H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 273.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 115561354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).