morpholin-2-ylmethyl 2-methylprop-2-enoate

C9H15NO3 — CID 174533355

IUPACmorpholin-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CNCCO1
InChIInChI=1S/C9H15NO3/c1-7(2)9(11)13-6-8-5-10-3-4-12-8/h8,10H,1,3-6H2,2H3
InChIKeyLVWYPCIEXSWLBF-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.09
Rot. Bonds3

About morpholin-2-ylmethyl 2-methylprop-2-enoate

morpholin-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 174533355) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is morpholin-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemorpholin-2-ylmethyl 2-methylprop-2-enoate
PubChem CID174533355
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemorpholin-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CNCCO1
InChIInChI=1S/C9H15NO3/c1-7(2)9(11)13-6-8-5-10-3-4-12-8/h8,10H,1,3-6H2,2H3
InChIKeyLVWYPCIEXSWLBF-UHFFFAOYSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.09
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 morpholin-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of morpholin-2-ylmethyl 2-methylprop-2-enoate (CID 174533355) is morpholin-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for morpholin-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for morpholin-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CNCCO1.
What is the InChIKey of morpholin-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is LVWYPCIEXSWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)9(11)13-6-8-5-10-3-4-12-8/h8,10H,1,3-6H2,2H3.
What are the key properties of morpholin-2-ylmethyl 2-methylprop-2-enoate?
morpholin-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).