methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate

C15H15NO2 — CID 102138920

IUPACmethyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
SMILESCOC(=O)N1C2C=CC1c1cc3c(cc12)CCC3
InChIInChI=1S/C15H15NO2/c1-18-15(17)16-13-5-6-14(16)12-8-10-4-2-3-9(10)7-11(12)13/h5-8,13-14H,2-4H2,1H3
InChIKeyPQHHBDVAQJTKQZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.91
Rot. Bonds

About methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate

methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate (PubChem CID 102138920) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate.

Molecular Properties

Compound Namemethyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
PubChem CID102138920
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
SMILESCOC(=O)N1C2C=CC1c1cc3c(cc12)CCC3
InChIInChI=1S/C15H15NO2/c1-18-15(17)16-13-5-6-14(16)12-8-10-4-2-3-9(10)7-11(12)13/h5-8,13-14H,2-4H2,1H3
InChIKeyPQHHBDVAQJTKQZ-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate?
The IUPAC name of methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate (CID 102138920) is methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate.
What is the SMILES notation for methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate?
The canonical SMILES for methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate is COC(=O)N1C2C=CC1c1cc3c(cc12)CCC3.
What is the InChIKey of methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate?
The InChIKey is PQHHBDVAQJTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)16-13-5-6-14(16)12-8-10-4-2-3-9(10)7-11(12)13/h5-8,13-14H,2-4H2,1H3.
What are the key properties of methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate?
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate is sourced from PubChem (CID 102138920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).