(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide

C17H17NO2 — CID 57213685

IUPAC(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide
SMILESCNC(=O)C1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C17H17NO2/c1-18-17(19)16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)20-16/h2-10,15-16H,11H2,1H3,(H,18,19)/b12-10?,14-13-
InChIKeyQVHBKCVNDJYFIW-VNZFERIISA-N
MW267.33 g/mol
LogP0.65
Rot. Bonds1

About (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide

(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide (PubChem CID 57213685) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide.

Molecular Properties

Compound Name(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide
PubChem CID57213685
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide
SMILESCNC(=O)C1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C17H17NO2/c1-18-17(19)16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)20-16/h2-10,15-16H,11H2,1H3,(H,18,19)/b12-10?,14-13-
InChIKeyQVHBKCVNDJYFIW-VNZFERIISA-N
XLogP0.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide?
The IUPAC name of (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide (CID 57213685) is (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide.
What is the SMILES notation for (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide?
The canonical SMILES for (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide is CNC(=O)C1CC=c2cccc/c2=C2\C=CC=CC2O1.
What is the InChIKey of (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide?
The InChIKey is QVHBKCVNDJYFIW-VNZFERIISA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-17(19)16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)20-16/h2-10,15-16H,11H2,1H3,(H,18,19)/b12-10?,14-13-.
What are the key properties of (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide?
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaene-9-carboxamide is sourced from PubChem (CID 57213685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).