1-acetyl-5-methylideneimidazolidine-2,4-dione

C6H6N2O3 — CID 11788405

IUPAC1-acetyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1C(=O)NC(=O)N1C(C)=O
InChIInChI=1S/C6H6N2O3/c1-3-5(10)7-6(11)8(3)4(2)9/h1H2,2H3,(H,7,10,11)
InChIKeyFSSOJKWGBBFRIE-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.40
Rot. Bonds

About 1-acetyl-5-methylideneimidazolidine-2,4-dione

1-acetyl-5-methylideneimidazolidine-2,4-dione (PubChem CID 11788405) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-acetyl-5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-acetyl-5-methylideneimidazolidine-2,4-dione
PubChem CID11788405
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name1-acetyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1C(=O)NC(=O)N1C(C)=O
InChIInChI=1S/C6H6N2O3/c1-3-5(10)7-6(11)8(3)4(2)9/h1H2,2H3,(H,7,10,11)
InChIKeyFSSOJKWGBBFRIE-UHFFFAOYSA-N
XLogP-0.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyleneimidazolidine-2,4-dione
CID 574313
5-(Methoxymethylene)-2,4-imidazolidinedione
CID 3035670
5-(Bromomethylene)imidazolidine-2,4-dione
CID 11298442
5-Ethylidene-2,4-imidazolidinedione
CID 59815931
5-(Bromomethylene)hydantoin
CID 51063953
5-Methoxymethylene-hydantoin
CID 126218
Ethoxymethylenehydantoin
CID 129795622
Hydantoinylacrylamide
CID 129864504
(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione
CID 11480564
3-n-Butyl-5-methylenehydantoin
CID 12767207
(Z)-5-Ethylideneimidazolidine-2,4-dione
CID 15716905
(E)-5-Ethylideneimidazolidine-2,4-dione
CID 18739899

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 1-acetyl-5-methylideneimidazolidine-2,4-dione (CID 11788405) is 1-acetyl-5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 1-acetyl-5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 1-acetyl-5-methylideneimidazolidine-2,4-dione is C=C1C(=O)NC(=O)N1C(C)=O.
What is the InChIKey of 1-acetyl-5-methylideneimidazolidine-2,4-dione?
The InChIKey is FSSOJKWGBBFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3-5(10)7-6(11)8(3)4(2)9/h1H2,2H3,(H,7,10,11).
What are the key properties of 1-acetyl-5-methylideneimidazolidine-2,4-dione?
1-acetyl-5-methylideneimidazolidine-2,4-dione has a molecular weight of 154.12 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 11788405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).