methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate

C14H16N2O3 — CID 126638084

IUPACmethyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate
SMILESCOC(=O)C1CC2C(=N1)c1ccncc1OC2(C)C
InChIInChI=1S/C14H16N2O3/c1-14(2)9-6-10(13(17)18-3)16-12(9)8-4-5-15-7-11(8)19-14/h4-5,7,9-10H,6H2,1-3H3
InChIKeyLCHOOVNOWLAJPQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.60
Rot. Bonds1

About methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate

methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate (PubChem CID 126638084) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate
PubChem CID126638084
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate
SMILESCOC(=O)C1CC2C(=N1)c1ccncc1OC2(C)C
InChIInChI=1S/C14H16N2O3/c1-14(2)9-6-10(13(17)18-3)16-12(9)8-4-5-15-7-11(8)19-14/h4-5,7,9-10H,6H2,1-3H3
InChIKeyLCHOOVNOWLAJPQ-UHFFFAOYSA-N
XLogP1.60
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate?
The IUPAC name of methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate (CID 126638084) is methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate.
What is the SMILES notation for methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate?
The canonical SMILES for methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate is COC(=O)C1CC2C(=N1)c1ccncc1OC2(C)C.
What is the InChIKey of methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate?
The InChIKey is LCHOOVNOWLAJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2)9-6-10(13(17)18-3)16-12(9)8-4-5-15-7-11(8)19-14/h4-5,7,9-10H,6H2,1-3H3.
What are the key properties of methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate?
methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4-carboxylate is sourced from PubChem (CID 126638084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).