11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde

C14H19NO4 — CID 10989164

IUPAC11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde
SMILESCN1CCOCCOCCOc2cc(C=O)ccc21
InChIInChI=1S/C14H19NO4/c1-15-4-5-17-6-7-18-8-9-19-14-10-12(11-16)2-3-13(14)15/h2-3,10-11H,4-9H2,1H3
InChIKeyRDMHBWXQANSRQD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds1

About 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde

11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde (PubChem CID 10989164) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde.

Molecular Properties

Compound Name11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde
PubChem CID10989164
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde
SMILESCN1CCOCCOCCOc2cc(C=O)ccc21
InChIInChI=1S/C14H19NO4/c1-15-4-5-17-6-7-18-8-9-19-14-10-12(11-16)2-3-13(14)15/h2-3,10-11H,4-9H2,1H3
InChIKeyRDMHBWXQANSRQD-UHFFFAOYSA-N
XLogP1.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde?
The IUPAC name of 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde (CID 10989164) is 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde.
What is the SMILES notation for 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde?
The canonical SMILES for 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde is CN1CCOCCOCCOc2cc(C=O)ccc21.
What is the InChIKey of 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde?
The InChIKey is RDMHBWXQANSRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-4-5-17-6-7-18-8-9-19-14-10-12(11-16)2-3-13(14)15/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde?
11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde has a molecular weight of 265.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde is sourced from PubChem (CID 10989164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).