ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate

C9H12N2O4 — CID 150654024

IUPACethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESC=C1NC(=O)N(CCC(=O)OCC)C1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)4-5-11-8(13)6(2)10-9(11)14/h2-5H2,1H3,(H,10,14)
InChIKeyJCMCQFDLASHHGA-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.01
Rot. Bonds4

About ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate

ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 150654024) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID150654024
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESC=C1NC(=O)N(CCC(=O)OCC)C1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-7(12)4-5-11-8(13)6(2)10-9(11)14/h2-5H2,1H3,(H,10,14)
InChIKeyJCMCQFDLASHHGA-UHFFFAOYSA-N
XLogP0.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.01
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 ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate (CID 150654024) is ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate is C=C1NC(=O)N(CCC(=O)OCC)C1=O.
What is the InChIKey of ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is JCMCQFDLASHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-7(12)4-5-11-8(13)6(2)10-9(11)14/h2-5H2,1H3,(H,10,14).
What are the key properties of ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate?
ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 212.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 150654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).