methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate

C12H20N2O4 — CID 83095979

IUPACmethyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1CCOCC1C(N)=O)C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-3-9(12(16)17-2)4-5-14-6-7-18-8-10(14)11(13)15/h4,10H,3,5-8H2,1-2H3,(H2,13,15)
InChIKeyOIYHKYDXLRRGQQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.32
Rot. Bonds5

About methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate

methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate (PubChem CID 83095979) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate
PubChem CID83095979
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1CCOCC1C(N)=O)C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-3-9(12(16)17-2)4-5-14-6-7-18-8-10(14)11(13)15/h4,10H,3,5-8H2,1-2H3,(H2,13,15)
InChIKeyOIYHKYDXLRRGQQ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate (CID 83095979) is methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate is CCC(=CCN1CCOCC1C(N)=O)C(=O)OC.
What is the InChIKey of methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate?
The InChIKey is OIYHKYDXLRRGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-9(12(16)17-2)4-5-14-6-7-18-8-10(14)11(13)15/h4,10H,3,5-8H2,1-2H3,(H2,13,15).
What are the key properties of methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate?
methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate has a molecular weight of 256.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate is sourced from PubChem (CID 83095979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).