1-morpholin-4-ylethyl 2-methylprop-2-enoate

C10H17NO3 — CID 19598999

IUPAC1-morpholin-4-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(2)10(12)14-9(3)11-4-6-13-7-5-11/h9H,1,4-7H2,2-3H3
InChIKeyWNOOSMZHHYJDGC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.78
Rot. Bonds3

About 1-morpholin-4-ylethyl 2-methylprop-2-enoate

1-morpholin-4-ylethyl 2-methylprop-2-enoate (PubChem CID 19598999) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-morpholin-4-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-morpholin-4-ylethyl 2-methylprop-2-enoate
PubChem CID19598999
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-morpholin-4-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(2)10(12)14-9(3)11-4-6-13-7-5-11/h9H,1,4-7H2,2-3H3
InChIKeyWNOOSMZHHYJDGC-UHFFFAOYSA-N
XLogP0.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.78
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 1-morpholin-4-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 1-morpholin-4-ylethyl 2-methylprop-2-enoate (CID 19598999) is 1-morpholin-4-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-morpholin-4-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-morpholin-4-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethyl 2-methylprop-2-enoate?
The InChIKey is WNOOSMZHHYJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)10(12)14-9(3)11-4-6-13-7-5-11/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-morpholin-4-ylethyl 2-methylprop-2-enoate?
1-morpholin-4-ylethyl 2-methylprop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19598999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).