1-morpholin-2-ylpropyl 2-methylprop-2-enoate

C11H19NO3 — CID 174639677

IUPAC1-morpholin-2-ylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C1CNCCO1
InChIInChI=1S/C11H19NO3/c1-4-9(15-11(13)8(2)3)10-7-12-5-6-14-10/h9-10,12H,2,4-7H2,1,3H3
InChIKeyXMYNLDYPLLTJJV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds4

About 1-morpholin-2-ylpropyl 2-methylprop-2-enoate

1-morpholin-2-ylpropyl 2-methylprop-2-enoate (PubChem CID 174639677) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-morpholin-2-ylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-morpholin-2-ylpropyl 2-methylprop-2-enoate
PubChem CID174639677
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-morpholin-2-ylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C1CNCCO1
InChIInChI=1S/C11H19NO3/c1-4-9(15-11(13)8(2)3)10-7-12-5-6-14-10/h9-10,12H,2,4-7H2,1,3H3
InChIKeyXMYNLDYPLLTJJV-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-ylpropyl 2-methylprop-2-enoate?
The IUPAC name of 1-morpholin-2-ylpropyl 2-methylprop-2-enoate (CID 174639677) is 1-morpholin-2-ylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-morpholin-2-ylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 1-morpholin-2-ylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylpropyl 2-methylprop-2-enoate?
The InChIKey is XMYNLDYPLLTJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9(15-11(13)8(2)3)10-7-12-5-6-14-10/h9-10,12H,2,4-7H2,1,3H3.
What are the key properties of 1-morpholin-2-ylpropyl 2-methylprop-2-enoate?
1-morpholin-2-ylpropyl 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174639677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).