1-ethenyl-9-methoxypyrido[3,4-b]indole

C14H12N2O — CID 639591

IUPAC1-ethenyl-9-methoxypyrido[3,4-b]indole
SMILESC=Cc1nccc2c3ccccc3n(OC)c12
InChIInChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3
InChIKeyCXIOSEMXFPKHOB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.89
Rot. Bonds2

About 1-ethenyl-9-methoxypyrido[3,4-b]indole

1-ethenyl-9-methoxypyrido[3,4-b]indole (PubChem CID 639591) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethenyl-9-methoxypyrido[3,4-b]indole.

Molecular Properties

Compound Name1-ethenyl-9-methoxypyrido[3,4-b]indole
PubChem CID639591
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-ethenyl-9-methoxypyrido[3,4-b]indole
SMILESC=Cc1nccc2c3ccccc3n(OC)c12
InChIInChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3
InChIKeyCXIOSEMXFPKHOB-UHFFFAOYSA-N
XLogP2.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-9-methoxypyrido[3,4-b]indole?
The IUPAC name of 1-ethenyl-9-methoxypyrido[3,4-b]indole (CID 639591) is 1-ethenyl-9-methoxypyrido[3,4-b]indole.
What is the SMILES notation for 1-ethenyl-9-methoxypyrido[3,4-b]indole?
The canonical SMILES for 1-ethenyl-9-methoxypyrido[3,4-b]indole is C=Cc1nccc2c3ccccc3n(OC)c12.
What is the InChIKey of 1-ethenyl-9-methoxypyrido[3,4-b]indole?
The InChIKey is CXIOSEMXFPKHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3.
What are the key properties of 1-ethenyl-9-methoxypyrido[3,4-b]indole?
1-ethenyl-9-methoxypyrido[3,4-b]indole has a molecular weight of 224.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9-methoxypyrido[3,4-b]indole is sourced from PubChem (CID 639591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).