4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol

C19H23N3O2 — CID 166983629

IUPAC4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol
SMILESOc1ccc(CCN2CC3CC(Oc4cnccn4)CC3C2)cc1
InChIInChI=1S/C19H23N3O2/c23-17-3-1-14(2-4-17)5-8-22-12-15-9-18(10-16(15)13-22)24-19-11-20-6-7-21-19/h1-4,6-7,11,15-16,18,23H,5,8-10,12-13H2
InChIKeyNFTKWELYDOOVRQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds5

About 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol

4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol (PubChem CID 166983629) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol
PubChem CID166983629
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol
SMILESOc1ccc(CCN2CC3CC(Oc4cnccn4)CC3C2)cc1
InChIInChI=1S/C19H23N3O2/c23-17-3-1-14(2-4-17)5-8-22-12-15-9-18(10-16(15)13-22)24-19-11-20-6-7-21-19/h1-4,6-7,11,15-16,18,23H,5,8-10,12-13H2
InChIKeyNFTKWELYDOOVRQ-UHFFFAOYSA-N
XLogP2.51
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol (CID 166983629) is 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol is Oc1ccc(CCN2CC3CC(Oc4cnccn4)CC3C2)cc1.
What is the InChIKey of 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol?
The InChIKey is NFTKWELYDOOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-17-3-1-14(2-4-17)5-8-22-12-15-9-18(10-16(15)13-22)24-19-11-20-6-7-21-19/h1-4,6-7,11,15-16,18,23H,5,8-10,12-13H2.
What are the key properties of 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol?
4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenol is sourced from PubChem (CID 166983629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).