(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol

C16H19N3O — CID 155980325

IUPAC(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
SMILESOCC12CCCC1CN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H19N3O/c20-11-16-7-3-4-12(16)9-19(10-16)15-8-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,8,12,20H,3-4,7,9-11H2
InChIKeyFGCJVSINUAWTRI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.23
Rot. Bonds2

About (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol

(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol (PubChem CID 155980325) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol.

Molecular Properties

Compound Name(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
PubChem CID155980325
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
SMILESOCC12CCCC1CN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H19N3O/c20-11-16-7-3-4-12(16)9-19(10-16)15-8-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,8,12,20H,3-4,7,9-11H2
InChIKeyFGCJVSINUAWTRI-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The IUPAC name of (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol (CID 155980325) is (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol.
What is the SMILES notation for (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The canonical SMILES for (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol is OCC12CCCC1CN(c1cnc3ccccc3n1)C2.
What is the InChIKey of (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The InChIKey is FGCJVSINUAWTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-11-16-7-3-4-12(16)9-19(10-16)15-8-17-13-5-1-2-6-14(13)18-15/h1-2,5-6,8,12,20H,3-4,7,9-11H2.
What are the key properties of (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol has a molecular weight of 269.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol is sourced from PubChem (CID 155980325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).