6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol

C21H25ClN2O2 — CID 134454565

IUPAC6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
SMILESCC(CN1C[C@H]2CC(Oc3ccccc3Cl)C[C@H]2C1)c1ccc(O)cn1
InChIInChI=1S/C21H25ClN2O2/c1-14(20-7-6-17(25)10-23-20)11-24-12-15-8-18(9-16(15)13-24)26-21-5-3-2-4-19(21)22/h2-7,10,14-16,18,25H,8-9,11-13H2,1H3/t14?,15-,16+,18?
InChIKeyBRRZCAQKGXDUHO-BHBVFMNGSA-N
MW372.90 g/mol
LogP4.33
Rot. Bonds5

About 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol

6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol (PubChem CID 134454565) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
PubChem CID134454565
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
SMILESCC(CN1C[C@H]2CC(Oc3ccccc3Cl)C[C@H]2C1)c1ccc(O)cn1
InChIInChI=1S/C21H25ClN2O2/c1-14(20-7-6-17(25)10-23-20)11-24-12-15-8-18(9-16(15)13-24)26-21-5-3-2-4-19(21)22/h2-7,10,14-16,18,25H,8-9,11-13H2,1H3/t14?,15-,16+,18?
InChIKeyBRRZCAQKGXDUHO-BHBVFMNGSA-N
XLogP4.33
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The IUPAC name of 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol (CID 134454565) is 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol.
What is the SMILES notation for 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The canonical SMILES for 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol is CC(CN1C[C@H]2CC(Oc3ccccc3Cl)C[C@H]2C1)c1ccc(O)cn1.
What is the InChIKey of 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
The InChIKey is BRRZCAQKGXDUHO-BHBVFMNGSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14(20-7-6-17(25)10-23-20)11-24-12-15-8-18(9-16(15)13-24)26-21-5-3-2-4-19(21)22/h2-7,10,14-16,18,25H,8-9,11-13H2,1H3/t14?,15-,16+,18?.
What are the key properties of 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol?
6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol has a molecular weight of 372.90 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3aS,6aR)-5-(2-chlorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol is sourced from PubChem (CID 134454565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).