ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate

C11H14N2O2 — CID 69473342

IUPACethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate
SMILESCCOC(=O)C12c3[nH]ncc3CC1C2C
InChIInChI=1S/C11H14N2O2/c1-3-15-10(14)11-6(2)8(11)4-7-5-12-13-9(7)11/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyXEZSBIOOCOVLCV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.03
Rot. Bonds2

About ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate

ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate (PubChem CID 69473342) 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-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate
PubChem CID69473342
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-2-carboxylate
SMILESCCOC(=O)C12c3[nH]ncc3CC1C2C
InChIInChI=1S/C11H14N2O2/c1-3-15-10(14)11-6(2)8(11)4-7-5-12-13-9(7)11/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyXEZSBIOOCOVLCV-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-2-carboxylate?
The IUPAC name of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate (CID 69473342) is ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate is CCOC(=O)C12c3[nH]ncc3CC1C2C.
What is the InChIKey of ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate?
The InChIKey is XEZSBIOOCOVLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-10(14)11-6(2)8(11)4-7-5-12-13-9(7)11/h5-6,8H,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-2-carboxylate?
ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.03, 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-2-carboxylate is sourced from PubChem (CID 69473342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).