2-morpholin-4-ylbenzaldehyde

C11H13NO2 — CID 2737010

IUPAC2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1ccccc1N1CCOCC1
InChIInChI=1S/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
InChIKeyGTTAEWVBVHSDLX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds2

About 2-morpholin-4-ylbenzaldehyde

2-morpholin-4-ylbenzaldehyde (PubChem CID 2737010) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name2-morpholin-4-ylbenzaldehyde
PubChem CID2737010
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1ccccc1N1CCOCC1
InChIInChI=1S/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
InChIKeyGTTAEWVBVHSDLX-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbenzaldehyde?
The IUPAC name of 2-morpholin-4-ylbenzaldehyde (CID 2737010) is 2-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 2-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 2-morpholin-4-ylbenzaldehyde is O=Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylbenzaldehyde?
The InChIKey is GTTAEWVBVHSDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2.
What are the key properties of 2-morpholin-4-ylbenzaldehyde?
2-morpholin-4-ylbenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 2737010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).