ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate

C10H17NO3 — CID 11217866

IUPACethyl 2-(morpholin-4-ylmethyl)prop-2-enoate
SMILESC=C(CN1CCOCC1)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)9(2)8-11-4-6-13-7-5-11/h2-8H2,1H3
InChIKeyLXXMMRWDJZFVME-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds4

About ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate

ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate (PubChem CID 11217866) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(morpholin-4-ylmethyl)prop-2-enoate
PubChem CID11217866
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(morpholin-4-ylmethyl)prop-2-enoate
SMILESC=C(CN1CCOCC1)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-3-14-10(12)9(2)8-11-4-6-13-7-5-11/h2-8H2,1H3
InChIKeyLXXMMRWDJZFVME-UHFFFAOYSA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
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 ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate (CID 11217866) is ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate is C=C(CN1CCOCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate?
The InChIKey is LXXMMRWDJZFVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(12)9(2)8-11-4-6-13-7-5-11/h2-8H2,1H3.
What are the key properties of ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate?
ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(morpholin-4-ylmethyl)prop-2-enoate is sourced from PubChem (CID 11217866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).