ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate

C10H17NO3 — CID 144930163

IUPACethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/C1CNCCO1
InChIInChI=1S/C10H17NO3/c1-3-13-10(12)8(2)6-9-7-11-4-5-14-9/h6,9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyPKYLSUGNOVBVKD-SOFGYWHQSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds3

About ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate

ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate (PubChem CID 144930163) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate
PubChem CID144930163
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/C1CNCCO1
InChIInChI=1S/C10H17NO3/c1-3-13-10(12)8(2)6-9-7-11-4-5-14-9/h6,9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyPKYLSUGNOVBVKD-SOFGYWHQSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
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 ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate (CID 144930163) is ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate is CCOC(=O)/C(C)=C/C1CNCCO1.
What is the InChIKey of ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate?
The InChIKey is PKYLSUGNOVBVKD-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-13-10(12)8(2)6-9-7-11-4-5-14-9/h6,9,11H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate?
ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate is sourced from PubChem (CID 144930163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).