propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate

C15H16N2O4 — CID 20515711

IUPACpropan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate
SMILESCc1ccc(N2C(=O)N/C(=C\C(=O)OC(C)C)C2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-9(2)21-13(18)8-12-14(19)17(15(20)16-12)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,16,20)/b12-8-
InChIKeyHJEUGPPHMFFRKX-WQLSENKSSA-N
MW288.30 g/mol
LogP1.89
Rot. Bonds3

About propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate

propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate (PubChem CID 20515711) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate.

Molecular Properties

Compound Namepropan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate
PubChem CID20515711
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namepropan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate
SMILESCc1ccc(N2C(=O)N/C(=C\C(=O)OC(C)C)C2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-9(2)21-13(18)8-12-14(19)17(15(20)16-12)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,16,20)/b12-8-
InChIKeyHJEUGPPHMFFRKX-WQLSENKSSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.89
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 propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate?
The IUPAC name of propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate (CID 20515711) is propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate.
What is the SMILES notation for propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate?
The canonical SMILES for propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate is Cc1ccc(N2C(=O)N/C(=C\C(=O)OC(C)C)C2=O)cc1.
What is the InChIKey of propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate?
The InChIKey is HJEUGPPHMFFRKX-WQLSENKSSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)21-13(18)8-12-14(19)17(15(20)16-12)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,16,20)/b12-8-.
What are the key properties of propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate?
propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate has a molecular weight of 288.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2Z)-2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-ylidene]acetate is sourced from PubChem (CID 20515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).