ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate

C14H16N2O2 — CID 131988389

IUPACethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate
SMILESCCOC(=O)c1ccn2c3c(c(C)nc12)CCC3
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)11-7-8-16-12-6-4-5-10(12)9(2)15-13(11)16/h7-8H,3-6H2,1-2H3
InChIKeyIRVVBFCCKBGLCY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.31
Rot. Bonds2

About ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate

ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate (PubChem CID 131988389) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate
PubChem CID131988389
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate
SMILESCCOC(=O)c1ccn2c3c(c(C)nc12)CCC3
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)11-7-8-16-12-6-4-5-10(12)9(2)15-13(11)16/h7-8H,3-6H2,1-2H3
InChIKeyIRVVBFCCKBGLCY-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate?
The IUPAC name of ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate (CID 131988389) is ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate?
The canonical SMILES for ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate is CCOC(=O)c1ccn2c3c(c(C)nc12)CCC3.
What is the InChIKey of ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate?
The InChIKey is IRVVBFCCKBGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-14(17)11-7-8-16-12-6-4-5-10(12)9(2)15-13(11)16/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate?
ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxylate is sourced from PubChem (CID 131988389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).