2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol

C11H16N2O — CID 70003975

IUPAC2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol
SMILESOCCN1CCCC=C2C=CNC=C21
InChIInChI=1S/C11H16N2O/c14-8-7-13-6-2-1-3-10-4-5-12-9-11(10)13/h3-5,9,12,14H,1-2,6-8H2
InChIKeyOUGSFBNRKNYKTG-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.96
Rot. Bonds2

About 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol

2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol (PubChem CID 70003975) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol
PubChem CID70003975
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol
SMILESOCCN1CCCC=C2C=CNC=C21
InChIInChI=1S/C11H16N2O/c14-8-7-13-6-2-1-3-10-4-5-12-9-11(10)13/h3-5,9,12,14H,1-2,6-8H2
InChIKeyOUGSFBNRKNYKTG-UHFFFAOYSA-N
XLogP0.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol?
The IUPAC name of 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol (CID 70003975) is 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol?
The canonical SMILES for 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol is OCCN1CCCC=C2C=CNC=C21.
What is the InChIKey of 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol?
The InChIKey is OUGSFBNRKNYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-8-7-13-6-2-1-3-10-4-5-12-9-11(10)13/h3-5,9,12,14H,1-2,6-8H2.
What are the key properties of 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol?
2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,8-tetrahydropyrido[3,4-b]azepin-1-yl)ethanol is sourced from PubChem (CID 70003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).