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

C9H17NO2 — CID 121215376

IUPAC2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
SMILESOCCN1CCC2COCC2C1
InChIInChI=1S/C9H17NO2/c11-4-3-10-2-1-8-6-12-7-9(8)5-10/h8-9,11H,1-7H2
InChIKeyUJUIXBWJCPWDDM-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.05
Rot. Bonds2

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

2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol (PubChem CID 121215376) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
PubChem CID121215376
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
SMILESOCCN1CCC2COCC2C1
InChIInChI=1S/C9H17NO2/c11-4-3-10-2-1-8-6-12-7-9(8)5-10/h8-9,11H,1-7H2
InChIKeyUJUIXBWJCPWDDM-UHFFFAOYSA-N
XLogP-0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol?
The IUPAC name of 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol (CID 121215376) is 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol.
What is the SMILES notation for 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol?
The canonical SMILES for 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol is OCCN1CCC2COCC2C1.
What is the InChIKey of 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol?
The InChIKey is UJUIXBWJCPWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-4-3-10-2-1-8-6-12-7-9(8)5-10/h8-9,11H,1-7H2.
What are the key properties of 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol?
2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol has a molecular weight of 171.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol is sourced from PubChem (CID 121215376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).