1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid

C10H15NO4 — CID 131714625

IUPAC1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid
SMILESC=CC(=O)N1CCOCC1.C=CC(=O)O
InChIInChI=1S/C7H11NO2.C3H4O2/c1-2-7(9)8-3-5-10-6-4-8;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5)
InChIKeyHLKKVVNGWTVNTI-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.29
Rot. Bonds2

About 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid

1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid (PubChem CID 131714625) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid.

Molecular Properties

Compound Name1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid
PubChem CID131714625
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid
SMILESC=CC(=O)N1CCOCC1.C=CC(=O)O
InChIInChI=1S/C7H11NO2.C3H4O2/c1-2-7(9)8-3-5-10-6-4-8;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5)
InChIKeyHLKKVVNGWTVNTI-UHFFFAOYSA-N
XLogP0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.29
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 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid?
The IUPAC name of 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid (CID 131714625) is 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid.
What is the SMILES notation for 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid?
The canonical SMILES for 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid is C=CC(=O)N1CCOCC1.C=CC(=O)O.
What is the InChIKey of 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid?
The InChIKey is HLKKVVNGWTVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C3H4O2/c1-2-7(9)8-3-5-10-6-4-8;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5).
What are the key properties of 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid?
1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylprop-2-en-1-one;prop-2-enoic acid is sourced from PubChem (CID 131714625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).