7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole

C14H12N2O — CID 147230714

IUPAC7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESC=COc1ccc2c(c1)[nH]c1c(C)nccc12
InChIInChI=1S/C14H12N2O/c1-3-17-10-4-5-11-12-6-7-15-9(2)14(12)16-13(11)8-10/h3-8,16H,1H2,2H3
InChIKeyCIVZKXJRLMYYTD-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.55
Rot. Bonds2

About 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole

7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 147230714) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID147230714
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESC=COc1ccc2c(c1)[nH]c1c(C)nccc12
InChIInChI=1S/C14H12N2O/c1-3-17-10-4-5-11-12-6-7-15-9(2)14(12)16-13(11)8-10/h3-8,16H,1H2,2H3
InChIKeyCIVZKXJRLMYYTD-UHFFFAOYSA-N
XLogP3.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
CID 54575583
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
1H-indole;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 175384815
1-methyl-7-[(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methoxy]-9H-pyrido[3,4-b]indole
CID 170384278
3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)prop-2-enoic acid
CID 163192645
methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
CID 141175145
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57336206
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
6-bromo-9-[(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)methyl]-1-methylpyrido[3,4-b]indole;6-bromo-1-methyl-9H-pyrido[3,4-b]indole
CID 158917289
1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
CID 57336062
[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
CID 57334587

Frequently Asked Questions

What is the IUPAC name of 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole (CID 147230714) is 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole is C=COc1ccc2c(c1)[nH]c1c(C)nccc12.
What is the InChIKey of 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is CIVZKXJRLMYYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-3-17-10-4-5-11-12-6-7-15-9(2)14(12)16-13(11)8-10/h3-8,16H,1H2,2H3.
What are the key properties of 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole?
7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 224.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 147230714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).