methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate

C13H16N2O3 — CID 164922758

IUPACmethyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
SMILESCOC(=O)C12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C13H16N2O3/c1-17-12(16)13-3-2-4-15(13)10-5-8-7-18-14-11(8)9(10)6-13/h7,9-10H,2-6H2,1H3
InChIKeyKYSHCHUYSAMJAI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds1

About methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate

methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate (PubChem CID 164922758) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate.

Molecular Properties

Compound Namemethyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
PubChem CID164922758
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
SMILESCOC(=O)C12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C13H16N2O3/c1-17-12(16)13-3-2-4-15(13)10-5-8-7-18-14-11(8)9(10)6-13/h7,9-10H,2-6H2,1H3
InChIKeyKYSHCHUYSAMJAI-UHFFFAOYSA-N
XLogP1.09
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate with MolForge

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Related Compounds

6-(Methoxymethyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922467
11-Oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922633
9-O-tert-butyl 10-O-methyl 10-(3-chloropropyl)-4-oxa-3,9-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-9,10-dicarboxylate
CID 164922646
Ethane;11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922741
11-Oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922742
Ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922763
6-Methyl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560020
6-(2-Methylpropyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560223
6-Propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590794
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590841
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590868
6-(3-Methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590891

Frequently Asked Questions

What is the IUPAC name of methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate?
The IUPAC name of methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate (CID 164922758) is methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate.
What is the SMILES notation for methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate?
The canonical SMILES for methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate is COC(=O)C12CCCN1C1Cc3conc3C1C2.
What is the InChIKey of methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate?
The InChIKey is KYSHCHUYSAMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12(16)13-3-2-4-15(13)10-5-8-7-18-14-11(8)9(10)6-13/h7,9-10H,2-6H2,1H3.
What are the key properties of methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate?
methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate is sourced from PubChem (CID 164922758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).