1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole

C15H14N2O2 — CID 5318875

IUPAC1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
SMILESC=Cc1ncc(OC)c2c1[nH]c1c(OC)cccc12
InChIInChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
InChIKeyLDWBTKDUAXOZRB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.38
Rot. Bonds3

About 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole

1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole (PubChem CID 5318875) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
PubChem CID5318875
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole
SMILESC=Cc1ncc(OC)c2c1[nH]c1c(OC)cccc12
InChIInChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3
InChIKeyLDWBTKDUAXOZRB-UHFFFAOYSA-N
XLogP3.38
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole (CID 5318875) is 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole is C=Cc1ncc(OC)c2c1[nH]c1c(OC)cccc12.
What is the InChIKey of 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is LDWBTKDUAXOZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-4-10-15-13(12(19-3)8-16-10)9-6-5-7-11(18-2)14(9)17-15/h4-8,17H,1H2,2-3H3.
What are the key properties of 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole?
1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 254.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5318875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).