ethyl 2-(methylamino)azulene-6-carboxylate

C14H15NO2 — CID 102001514

IUPACethyl 2-(methylamino)azulene-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(NC)cc-2cc1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)10-4-6-11-8-13(15-2)9-12(11)7-5-10/h4-9,15H,3H2,1-2H3
InChIKeyCYFLSCHDWGVQPI-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-(methylamino)azulene-6-carboxylate

ethyl 2-(methylamino)azulene-6-carboxylate (PubChem CID 102001514) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-(methylamino)azulene-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)azulene-6-carboxylate
PubChem CID102001514
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 2-(methylamino)azulene-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(NC)cc-2cc1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)10-4-6-11-8-13(15-2)9-12(11)7-5-10/h4-9,15H,3H2,1-2H3
InChIKeyCYFLSCHDWGVQPI-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-(methylamino)benzene-1,3-dicarboxylate
CID 101449112
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
6-ethoxycarbonylazulene-2-carboxylate
CID 101434282
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)azulene-6-carboxylate?
The IUPAC name of ethyl 2-(methylamino)azulene-6-carboxylate (CID 102001514) is ethyl 2-(methylamino)azulene-6-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)azulene-6-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)azulene-6-carboxylate is CCOC(=O)c1ccc2cc(NC)cc-2cc1.
What is the InChIKey of ethyl 2-(methylamino)azulene-6-carboxylate?
The InChIKey is CYFLSCHDWGVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-14(16)10-4-6-11-8-13(15-2)9-12(11)7-5-10/h4-9,15H,3H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)azulene-6-carboxylate?
ethyl 2-(methylamino)azulene-6-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)azulene-6-carboxylate is sourced from PubChem (CID 102001514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).