ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate

C12H15NO2 — CID 90032894

IUPACethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate
SMILESCCOC(=O)C1C2CC3C=CN=CC3C21
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)11-8-5-7-3-4-13-6-9(7)10(8)11/h3-4,6-11H,2,5H2,1H3
InChIKeyNSSDBHLFYMRHQJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.65
Rot. Bonds2

About ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate

ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate (PubChem CID 90032894) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate
PubChem CID90032894
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate
SMILESCCOC(=O)C1C2CC3C=CN=CC3C21
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)11-8-5-7-3-4-13-6-9(7)10(8)11/h3-4,6-11H,2,5H2,1H3
InChIKeyNSSDBHLFYMRHQJ-UHFFFAOYSA-N
XLogP1.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate with MolForge

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Related Compounds

ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
CID 91001047
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
CID 135036680
ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 76818496
5-ethoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 141321163
ethyl (1R,2S,3S,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102174206
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433

Frequently Asked Questions

What is the IUPAC name of ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate?
The IUPAC name of ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate (CID 90032894) is ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate.
What is the SMILES notation for ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate?
The canonical SMILES for ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate is CCOC(=O)C1C2CC3C=CN=CC3C21.
What is the InChIKey of ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate?
The InChIKey is NSSDBHLFYMRHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)11-8-5-7-3-4-13-6-9(7)10(8)11/h3-4,6-11H,2,5H2,1H3.
What are the key properties of ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate?
ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate is sourced from PubChem (CID 90032894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).