methyl cyclohepta[f]indole-3-carboxylate

C15H11NO2 — CID 141366427

IUPACmethyl cyclohepta[f]indole-3-carboxylate
SMILESCOC(=O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)13-9-16-14-8-11-6-4-2-3-5-10(11)7-12(13)14/h2-9H,1H3
InChIKeyJPQJZLQNGDAFOJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.17
Rot. Bonds1

About methyl cyclohepta[f]indole-3-carboxylate

methyl cyclohepta[f]indole-3-carboxylate (PubChem CID 141366427) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl cyclohepta[f]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl cyclohepta[f]indole-3-carboxylate
PubChem CID141366427
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Namemethyl cyclohepta[f]indole-3-carboxylate
SMILESCOC(=O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)13-9-16-14-8-11-6-4-2-3-5-10(11)7-12(13)14/h2-9H,1H3
InChIKeyJPQJZLQNGDAFOJ-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7H-indole-7-carboxylate
CID 69184912
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
Cyclohepta[f]indole-3-carboxylic acid;hydrochloride
CID 118865263
Methyl pyrrolo[3,2-e]indole-1-carboxylate
CID 140982585
Methyl 6-oxidopyrrolo[3,2-e]indol-6-ium-1-carboxylate
CID 140982595
Methyl 6-oxoisoindole-1-carboxylate
CID 141169055
tert-butyl 4H-cyclohepta[b]pyridine-3-carboxylate
CID 141202729
Ethyl indeno[2,1-b]pyrrole-8-carboxylate
CID 141282379
methyl 4H-cyclohepta[b]pyridine-3-carboxylate
CID 141366480
ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503758
methyl 9H-1-benzazepine-8-carboxylate
CID 151069100
Cyclohepta[f]indole-3-carboxylic acid;dihydrochloride
CID 160864268

Frequently Asked Questions

What is the IUPAC name of methyl cyclohepta[f]indole-3-carboxylate?
The IUPAC name of methyl cyclohepta[f]indole-3-carboxylate (CID 141366427) is methyl cyclohepta[f]indole-3-carboxylate.
What is the SMILES notation for methyl cyclohepta[f]indole-3-carboxylate?
The canonical SMILES for methyl cyclohepta[f]indole-3-carboxylate is COC(=O)c1cnc2cc3cccccc3cc12.
What is the InChIKey of methyl cyclohepta[f]indole-3-carboxylate?
The InChIKey is JPQJZLQNGDAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-15(17)13-9-16-14-8-11-6-4-2-3-5-10(11)7-12(13)14/h2-9H,1H3.
What are the key properties of methyl cyclohepta[f]indole-3-carboxylate?
methyl cyclohepta[f]indole-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyclohepta[f]indole-3-carboxylate is sourced from PubChem (CID 141366427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).