methyl 2-methyl-3-morpholin-4-ylprop-2-enoate

C9H15NO3 — CID 68602025

IUPACmethyl 2-methyl-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)C(C)=CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyQXQUCHAOKKUIAW-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.40
Rot. Bonds2

About methyl 2-methyl-3-morpholin-4-ylprop-2-enoate

methyl 2-methyl-3-morpholin-4-ylprop-2-enoate (PubChem CID 68602025) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-methyl-3-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-morpholin-4-ylprop-2-enoate
PubChem CID68602025
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-methyl-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)C(C)=CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyQXQUCHAOKKUIAW-UHFFFAOYSA-N
XLogP0.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.40
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 methyl 2-methyl-3-morpholin-4-ylprop-2-enoate?
The IUPAC name of methyl 2-methyl-3-morpholin-4-ylprop-2-enoate (CID 68602025) is methyl 2-methyl-3-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-morpholin-4-ylprop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-morpholin-4-ylprop-2-enoate is COC(=O)C(C)=CN1CCOCC1.
What is the InChIKey of methyl 2-methyl-3-morpholin-4-ylprop-2-enoate?
The InChIKey is QXQUCHAOKKUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-3-morpholin-4-ylprop-2-enoate?
methyl 2-methyl-3-morpholin-4-ylprop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 68602025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).