ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate

C14H23N3O3 — CID 144845072

IUPACethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate
SMILESCC.CCOC(=O)c1c(C)nn2c1CNC1COCC12
InChIInChI=1S/C12H17N3O3.C2H6/c1-3-18-12(16)11-7(2)14-15-9(11)4-13-8-5-17-6-10(8)15;1-2/h8,10,13H,3-6H2,1-2H3;1-2H3
InChIKeyMNYXGYAXSPRSKY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.44
Rot. Bonds2

About ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate

ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate (PubChem CID 144845072) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate
PubChem CID144845072
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate
SMILESCC.CCOC(=O)c1c(C)nn2c1CNC1COCC12
InChIInChI=1S/C12H17N3O3.C2H6/c1-3-18-12(16)11-7(2)14-15-9(11)4-13-8-5-17-6-10(8)15;1-2/h8,10,13H,3-6H2,1-2H3;1-2H3
InChIKeyMNYXGYAXSPRSKY-UHFFFAOYSA-N
XLogP1.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate with MolForge

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Related Compounds

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ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
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ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
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ethyl 1-[(3R,4S)-4-aminooxolan-3-yl]triazole-4-carboxylate
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ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136556805
ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837786
ethyl 2-methyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837807
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
ethyl 1-propan-2-ylpyrazole-3-carboxylate;3-oxabicyclo[3.1.0]hexane
CID 144669788
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate?
The IUPAC name of ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate (CID 144845072) is ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate.
What is the SMILES notation for ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate?
The canonical SMILES for ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate is CC.CCOC(=O)c1c(C)nn2c1CNC1COCC12.
What is the InChIKey of ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate?
The InChIKey is MNYXGYAXSPRSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.C2H6/c1-3-18-12(16)11-7(2)14-15-9(11)4-13-8-5-17-6-10(8)15;1-2/h8,10,13H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate?
ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 11-methyl-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxylate is sourced from PubChem (CID 144845072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).