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

C9H18N2O — CID 130577929

IUPAC2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol
SMILESOCCN1CC2CCNCC2C1
InChIInChI=1S/C9H18N2O/c12-4-3-11-6-8-1-2-10-5-9(8)7-11/h8-10,12H,1-7H2
InChIKeySTOKUYTYZDBEOK-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.48
Rot. Bonds2

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

2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol (PubChem CID 130577929) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol
PubChem CID130577929
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol
SMILESOCCN1CC2CCNCC2C1
InChIInChI=1S/C9H18N2O/c12-4-3-11-6-8-1-2-10-5-9(8)7-11/h8-10,12H,1-7H2
InChIKeySTOKUYTYZDBEOK-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol?
The IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol (CID 130577929) is 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol.
What is the SMILES notation for 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol?
The canonical SMILES for 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol is OCCN1CC2CCNCC2C1.
What is the InChIKey of 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol?
The InChIKey is STOKUYTYZDBEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-4-3-11-6-8-1-2-10-5-9(8)7-11/h8-10,12H,1-7H2.
What are the key properties of 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol?
2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)ethanol is sourced from PubChem (CID 130577929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).