1-(9H-pyrido[3,4-b]indol-1-yl)ethanol

C13H12N2O — CID 10899924

IUPAC1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCC(O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3
InChIKeyGKXWQOGSNJJLKJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.77
Rot. Bonds1

About 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol

1-(9H-pyrido[3,4-b]indol-1-yl)ethanol (PubChem CID 10899924) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
PubChem CID10899924
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCC(O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3
InChIKeyGKXWQOGSNJJLKJ-UHFFFAOYSA-N
XLogP2.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol (CID 10899924) is 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol is CC(O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The InChIKey is GKXWQOGSNJJLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3.
What are the key properties of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
1-(9H-pyrido[3,4-b]indol-1-yl)ethanol has a molecular weight of 212.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 10899924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).