3-(5-oxomorpholin-3-yl)benzaldehyde

C11H11NO3 — CID 115023846

IUPAC3-(5-oxomorpholin-3-yl)benzaldehyde
SMILESO=Cc1cccc(C2COCC(=O)N2)c1
InChIInChI=1S/C11H11NO3/c13-5-8-2-1-3-9(4-8)10-6-15-7-11(14)12-10/h1-5,10H,6-7H2,(H,12,14)
InChIKeyNDNGSMUOZUUCGV-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.69
Rot. Bonds2

About 3-(5-oxomorpholin-3-yl)benzaldehyde

3-(5-oxomorpholin-3-yl)benzaldehyde (PubChem CID 115023846) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(5-oxomorpholin-3-yl)benzaldehyde.

Molecular Properties

Compound Name3-(5-oxomorpholin-3-yl)benzaldehyde
PubChem CID115023846
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(5-oxomorpholin-3-yl)benzaldehyde
SMILESO=Cc1cccc(C2COCC(=O)N2)c1
InChIInChI=1S/C11H11NO3/c13-5-8-2-1-3-9(4-8)10-6-15-7-11(14)12-10/h1-5,10H,6-7H2,(H,12,14)
InChIKeyNDNGSMUOZUUCGV-UHFFFAOYSA-N
XLogP0.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
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 3-(5-oxomorpholin-3-yl)benzaldehyde?
The IUPAC name of 3-(5-oxomorpholin-3-yl)benzaldehyde (CID 115023846) is 3-(5-oxomorpholin-3-yl)benzaldehyde.
What is the SMILES notation for 3-(5-oxomorpholin-3-yl)benzaldehyde?
The canonical SMILES for 3-(5-oxomorpholin-3-yl)benzaldehyde is O=Cc1cccc(C2COCC(=O)N2)c1.
What is the InChIKey of 3-(5-oxomorpholin-3-yl)benzaldehyde?
The InChIKey is NDNGSMUOZUUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-5-8-2-1-3-9(4-8)10-6-15-7-11(14)12-10/h1-5,10H,6-7H2,(H,12,14).
What are the key properties of 3-(5-oxomorpholin-3-yl)benzaldehyde?
3-(5-oxomorpholin-3-yl)benzaldehyde has a molecular weight of 205.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxomorpholin-3-yl)benzaldehyde is sourced from PubChem (CID 115023846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).