2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde

C9H13NO3 — CID 175308753

IUPAC2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde
SMILESC=CCC1CNC(C(=O)C=O)CO1
InChIInChI=1S/C9H13NO3/c1-2-3-7-4-10-8(6-13-7)9(12)5-11/h2,5,7-8,10H,1,3-4,6H2
InChIKeyIIGVBZUWSBUKEQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.31
Rot. Bonds4

About 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde

2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde (PubChem CID 175308753) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde
PubChem CID175308753
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde
SMILESC=CCC1CNC(C(=O)C=O)CO1
InChIInChI=1S/C9H13NO3/c1-2-3-7-4-10-8(6-13-7)9(12)5-11/h2,5,7-8,10H,1,3-4,6H2
InChIKeyIIGVBZUWSBUKEQ-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde?
The IUPAC name of 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde (CID 175308753) is 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde is C=CCC1CNC(C(=O)C=O)CO1.
What is the InChIKey of 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde?
The InChIKey is IIGVBZUWSBUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-7-4-10-8(6-13-7)9(12)5-11/h2,5,7-8,10H,1,3-4,6H2.
What are the key properties of 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde?
2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde has a molecular weight of 183.21 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(6-prop-2-enylmorpholin-3-yl)acetaldehyde is sourced from PubChem (CID 175308753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).