ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate

C11H14N2O2 — CID 69473339

IUPACethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
SMILESCCOC(=O)C1(C)C2Cc3cn[nH]c3C21
InChIInChI=1S/C11H14N2O2/c1-3-15-10(14)11(2)7-4-6-5-12-13-9(6)8(7)11/h5,7-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyASLHYPRTTJXIPE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.25
Rot. Bonds2

About ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate

ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate (PubChem CID 69473339) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
PubChem CID69473339
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
SMILESCCOC(=O)C1(C)C2Cc3cn[nH]c3C21
InChIInChI=1S/C11H14N2O2/c1-3-15-10(14)11(2)7-4-6-5-12-13-9(6)8(7)11/h5,7-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyASLHYPRTTJXIPE-UHFFFAOYSA-N
XLogP1.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate?
The IUPAC name of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate (CID 69473339) is ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate is CCOC(=O)C1(C)C2Cc3cn[nH]c3C21.
What is the InChIKey of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate?
The InChIKey is ASLHYPRTTJXIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-10(14)11(2)7-4-6-5-12-13-9(6)8(7)11/h5,7-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate?
ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate is sourced from PubChem (CID 69473339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).