(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C12H12N2O3 — CID 900425

IUPAC(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(C)o2)C1=O
InChIInChI=1S/C12H12N2O3/c1-3-6-14-11(15)10(13-12(14)16)7-9-5-4-8(2)17-9/h3-5,7H,1,6H2,2H3,(H,13,16)/b10-7+
InChIKeyRWKSFSALKPGFKO-JXMROGBWSA-N
MW232.24 g/mol
LogP1.67
Rot. Bonds3

About (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 900425) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID900425
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(C)o2)C1=O
InChIInChI=1S/C12H12N2O3/c1-3-6-14-11(15)10(13-12(14)16)7-9-5-4-8(2)17-9/h3-5,7H,1,6H2,2H3,(H,13,16)/b10-7+
InChIKeyRWKSFSALKPGFKO-JXMROGBWSA-N
XLogP1.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 900425) is (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2ccc(C)o2)C1=O.
What is the InChIKey of (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is RWKSFSALKPGFKO-JXMROGBWSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-6-14-11(15)10(13-12(14)16)7-9-5-4-8(2)17-9/h3-5,7H,1,6H2,2H3,(H,13,16)/b10-7+.
What are the key properties of (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 900425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).