[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate

C13H17NO5 — CID 87960492

IUPAC[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)NC(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H17NO5/c1-6-10(15)14-11(19-13(17)9(4)5)7-18-12(16)8(2)3/h6,11H,1-2,4,7H2,3,5H3,(H,14,15)
InChIKeyDMBPGDWSUXSDFQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.85
Rot. Bonds7

About [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate (PubChem CID 87960492) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate
PubChem CID87960492
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)NC(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H17NO5/c1-6-10(15)14-11(19-13(17)9(4)5)7-18-12(16)8(2)3/h6,11H,1-2,4,7H2,3,5H3,(H,14,15)
InChIKeyDMBPGDWSUXSDFQ-UHFFFAOYSA-N
XLogP0.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate (CID 87960492) is [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate is C=CC(=O)NC(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate?
The InChIKey is DMBPGDWSUXSDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-6-10(15)14-11(19-13(17)9(4)5)7-18-12(16)8(2)3/h6,11H,1-2,4,7H2,3,5H3,(H,14,15).
What are the key properties of [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate has a molecular weight of 267.28 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)-2-(prop-2-enoylamino)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87960492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).