2-morpholin-4-ylpropyl 2-methylprop-2-enoate

C11H19NO3 — CID 18464089

IUPAC2-morpholin-4-ylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(2)11(13)15-8-10(3)12-4-6-14-7-5-12/h10H,1,4-8H2,2-3H3
InChIKeyVDISSBWOSMEXNP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds4

About 2-morpholin-4-ylpropyl 2-methylprop-2-enoate

2-morpholin-4-ylpropyl 2-methylprop-2-enoate (PubChem CID 18464089) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-morpholin-4-ylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylpropyl 2-methylprop-2-enoate
PubChem CID18464089
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-morpholin-4-ylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(2)11(13)15-8-10(3)12-4-6-14-7-5-12/h10H,1,4-8H2,2-3H3
InChIKeyVDISSBWOSMEXNP-UHFFFAOYSA-N
XLogP0.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
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 2-morpholin-4-ylpropyl 2-methylprop-2-enoate?
The IUPAC name of 2-morpholin-4-ylpropyl 2-methylprop-2-enoate (CID 18464089) is 2-morpholin-4-ylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-morpholin-4-ylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-morpholin-4-ylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropyl 2-methylprop-2-enoate?
The InChIKey is VDISSBWOSMEXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)11(13)15-8-10(3)12-4-6-14-7-5-12/h10H,1,4-8H2,2-3H3.
What are the key properties of 2-morpholin-4-ylpropyl 2-methylprop-2-enoate?
2-morpholin-4-ylpropyl 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 18464089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).