4-ethylmorpholine;prop-2-enoic acid

C9H17NO3 — CID 67020428

IUPAC4-ethylmorpholine;prop-2-enoic acid
SMILESC=CC(=O)O.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C3H4O2/c1-2-7-3-5-8-6-4-7;1-2-3(4)5/h2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeyOEVGWDZIVUTNRM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds2

About 4-ethylmorpholine;prop-2-enoic acid

4-ethylmorpholine;prop-2-enoic acid (PubChem CID 67020428) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-ethylmorpholine;prop-2-enoic acid.

Molecular Properties

Compound Name4-ethylmorpholine;prop-2-enoic acid
PubChem CID67020428
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-ethylmorpholine;prop-2-enoic acid
SMILESC=CC(=O)O.CCN1CCOCC1
InChIInChI=1S/C6H13NO.C3H4O2/c1-2-7-3-5-8-6-4-7;1-2-3(4)5/h2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeyOEVGWDZIVUTNRM-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine;prop-2-enoic acid?
The IUPAC name of 4-ethylmorpholine;prop-2-enoic acid (CID 67020428) is 4-ethylmorpholine;prop-2-enoic acid.
What is the SMILES notation for 4-ethylmorpholine;prop-2-enoic acid?
The canonical SMILES for 4-ethylmorpholine;prop-2-enoic acid is C=CC(=O)O.CCN1CCOCC1.
What is the InChIKey of 4-ethylmorpholine;prop-2-enoic acid?
The InChIKey is OEVGWDZIVUTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H4O2/c1-2-7-3-5-8-6-4-7;1-2-3(4)5/h2-6H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 4-ethylmorpholine;prop-2-enoic acid?
4-ethylmorpholine;prop-2-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine;prop-2-enoic acid is sourced from PubChem (CID 67020428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).