methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate

C13H20N2O4 — CID 77101492

IUPACmethyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate
SMILESCCCC1NC(=O)N(CC=C(CC)C(=O)OC)C1=O
InChIInChI=1S/C13H20N2O4/c1-4-6-10-11(16)15(13(18)14-10)8-7-9(5-2)12(17)19-3/h7,10H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyQNMLCRWYDKQTCQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds6

About methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate

methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate (PubChem CID 77101492) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate
PubChem CID77101492
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate
SMILESCCCC1NC(=O)N(CC=C(CC)C(=O)OC)C1=O
InChIInChI=1S/C13H20N2O4/c1-4-6-10-11(16)15(13(18)14-10)8-7-9(5-2)12(17)19-3/h7,10H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyQNMLCRWYDKQTCQ-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate (CID 77101492) is methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate is CCCC1NC(=O)N(CC=C(CC)C(=O)OC)C1=O.
What is the InChIKey of methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate?
The InChIKey is QNMLCRWYDKQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-6-10-11(16)15(13(18)14-10)8-7-9(5-2)12(17)19-3/h7,10H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate?
methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-ethylbut-2-enoate is sourced from PubChem (CID 77101492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).