5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione

C8H10N2O3 — CID 142170845

IUPAC5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione
SMILESC=CC(=C)C(O)C1NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-3-4(2)6(11)5-7(12)10-8(13)9-5/h3,5-6,11H,1-2H2,(H2,9,10,12,13)
InChIKeyQMYSXTBKUBLQMT-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.70
Rot. Bonds3

About 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione

5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione (PubChem CID 142170845) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione
PubChem CID142170845
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione
SMILESC=CC(=C)C(O)C1NC(=O)NC1=O
InChIInChI=1S/C8H10N2O3/c1-3-4(2)6(11)5-7(12)10-8(13)9-5/h3,5-6,11H,1-2H2,(H2,9,10,12,13)
InChIKeyQMYSXTBKUBLQMT-UHFFFAOYSA-N
XLogP-0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione (CID 142170845) is 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione is C=CC(=C)C(O)C1NC(=O)NC1=O.
What is the InChIKey of 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione?
The InChIKey is QMYSXTBKUBLQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-4(2)6(11)5-7(12)10-8(13)9-5/h3,5-6,11H,1-2H2,(H2,9,10,12,13).
What are the key properties of 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione?
5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylidenebut-3-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 142170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).