1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol

C14H12N2O2 — CID 5324360

IUPAC1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol
SMILESC=Cc1ncc(OC)c2c1[nH]c1c(O)cccc12
InChIInChI=1S/C14H12N2O2/c1-3-9-14-12(11(18-2)7-15-9)8-5-4-6-10(17)13(8)16-14/h3-7,16-17H,1H2,2H3
InChIKeyJOHWQLSNGRWJRK-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.07
Rot. Bonds2

About 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol

1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol (PubChem CID 5324360) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol.

Molecular Properties

Compound Name1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol
PubChem CID5324360
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol
SMILESC=Cc1ncc(OC)c2c1[nH]c1c(O)cccc12
InChIInChI=1S/C14H12N2O2/c1-3-9-14-12(11(18-2)7-15-9)8-5-4-6-10(17)13(8)16-14/h3-7,16-17H,1H2,2H3
InChIKeyJOHWQLSNGRWJRK-UHFFFAOYSA-N
XLogP3.07
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The IUPAC name of 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol (CID 5324360) is 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol.
What is the SMILES notation for 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The canonical SMILES for 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol is C=Cc1ncc(OC)c2c1[nH]c1c(O)cccc12.
What is the InChIKey of 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The InChIKey is JOHWQLSNGRWJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-9-14-12(11(18-2)7-15-9)8-5-4-6-10(17)13(8)16-14/h3-7,16-17H,1H2,2H3.
What are the key properties of 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol has a molecular weight of 240.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-ol is sourced from PubChem (CID 5324360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).