2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol

C9H18N2O — CID 155822604

IUPAC2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol
SMILESOCCN1CCC[C@@H]2NCC[C@@H]21
InChIInChI=1S/C9H18N2O/c12-7-6-11-5-1-2-8-9(11)3-4-10-8/h8-10,12H,1-7H2/t8-,9-/m0/s1
InChIKeyAZYQIKKOBZQFQS-IUCAKERBSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds2

About 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol

2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol (PubChem CID 155822604) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol
PubChem CID155822604
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol
SMILESOCCN1CCC[C@@H]2NCC[C@@H]21
InChIInChI=1S/C9H18N2O/c12-7-6-11-5-1-2-8-9(11)3-4-10-8/h8-10,12H,1-7H2/t8-,9-/m0/s1
InChIKeyAZYQIKKOBZQFQS-IUCAKERBSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol?
The IUPAC name of 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol (CID 155822604) is 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol.
What is the SMILES notation for 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol?
The canonical SMILES for 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol is OCCN1CCC[C@@H]2NCC[C@@H]21.
What is the InChIKey of 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol?
The InChIKey is AZYQIKKOBZQFQS-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c12-7-6-11-5-1-2-8-9(11)3-4-10-8/h8-10,12H,1-7H2/t8-,9-/m0/s1.
What are the key properties of 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol?
2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]ethanol is sourced from PubChem (CID 155822604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).