2-ethylmorpholine;prop-2-enoic acid

C9H17NO3 — CID 67020429

IUPAC2-ethylmorpholine;prop-2-enoic acid
SMILESC=CC(=O)O.CCC1CNCCO1
InChIInChI=1S/C6H13NO.C3H4O2/c1-2-6-5-7-3-4-8-6;1-2-3(4)5/h6-7H,2-5H2,1H3;2H,1H2,(H,4,5)
InChIKeyDFOXSBLCDYGLNW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.64
Rot. Bonds2

About 2-ethylmorpholine;prop-2-enoic acid

2-ethylmorpholine;prop-2-enoic acid (PubChem CID 67020429) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethylmorpholine;prop-2-enoic acid.

Molecular Properties

Compound Name2-ethylmorpholine;prop-2-enoic acid
PubChem CID67020429
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-ethylmorpholine;prop-2-enoic acid
SMILESC=CC(=O)O.CCC1CNCCO1
InChIInChI=1S/C6H13NO.C3H4O2/c1-2-6-5-7-3-4-8-6;1-2-3(4)5/h6-7H,2-5H2,1H3;2H,1H2,(H,4,5)
InChIKeyDFOXSBLCDYGLNW-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethylmorpholine;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylmorpholine;prop-2-enoic acid?
The IUPAC name of 2-ethylmorpholine;prop-2-enoic acid (CID 67020429) is 2-ethylmorpholine;prop-2-enoic acid.
What is the SMILES notation for 2-ethylmorpholine;prop-2-enoic acid?
The canonical SMILES for 2-ethylmorpholine;prop-2-enoic acid is C=CC(=O)O.CCC1CNCCO1.
What is the InChIKey of 2-ethylmorpholine;prop-2-enoic acid?
The InChIKey is DFOXSBLCDYGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H4O2/c1-2-6-5-7-3-4-8-6;1-2-3(4)5/h6-7H,2-5H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-ethylmorpholine;prop-2-enoic acid?
2-ethylmorpholine;prop-2-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylmorpholine;prop-2-enoic acid is sourced from PubChem (CID 67020429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).