Hydantoin

C3H4N2O2 — CID 10006

IUPACimidazolidine-2,4-dione
SMILESC1C(=O)NC(=O)N1
InChIInChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChIKeyWJRBRSLFGCUECM-UHFFFAOYSA-N
MW100.08 g/mol
LogP-1.70
Rot. Bonds

About Hydantoin

Hydantoin (PubChem CID 10006) has the molecular formula C3H4N2O2 and a molecular weight of 100.08 g/mol. Its IUPAC name is imidazolidine-2,4-dione.

Molecular Properties

Compound NameHydantoin
PubChem CID10006
Molecular FormulaC3H4N2O2
Molecular Weight100.08 g/mol
Exact Mass100.03
IUPAC Nameimidazolidine-2,4-dione
SMILESC1C(=O)NC(=O)N1
InChIInChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChIKeyWJRBRSLFGCUECM-UHFFFAOYSA-N
XLogP-1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity120

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allantoin
CID 204
1-Methylhydantoin
CID 69217
Allantoin, (R)-
CID 439713
(S)-(+)-allantoin
CID 439714
1-Ethylimidazolidine-2,4,5-trione
CID 3301639
5-Methylhydantoin
CID 69216
2,4-Imidazolidinedione, 3-methyl-
CID 138851
L-5-methylhydantoin
CID 6419931
3-Ethylimidazolidine-2,4-dione
CID 13258388
3,6,8-Trimethylallantoin
CID 181740
5-Guanidinohydantoin
CID 45071972
Hydantoin, 1-hydroxy-
CID 207568

Frequently Asked Questions

What is the IUPAC name of Hydantoin?
The IUPAC name of Hydantoin (CID 10006) is imidazolidine-2,4-dione.
What is the SMILES notation for Hydantoin?
The canonical SMILES for Hydantoin is C1C(=O)NC(=O)N1.
What is the InChIKey of Hydantoin?
The InChIKey is WJRBRSLFGCUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7).
What are the key properties of Hydantoin?
Hydantoin has a molecular weight of 100.08 g/mol, XLogP of -1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Hydantoin is sourced from PubChem (CID 10006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).