1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione

C9H10Cl2N2O3 — CID 51726383

IUPAC1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O
InChIInChI=1S/C9H10Cl2N2O3/c1-2-12-6(14)7(15)13(8(12)16)4-5-3-9(5,10)11/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyQCNKPZIKBXKMKG-YFKPBYRVSA-N
MW265.10 g/mol
LogP0.99
Rot. Bonds3

About 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione

1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 51726383) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID51726383
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O
InChIInChI=1S/C9H10Cl2N2O3/c1-2-12-6(14)7(15)13(8(12)16)4-5-3-9(5,10)11/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyQCNKPZIKBXKMKG-YFKPBYRVSA-N
XLogP0.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione
CID 24626704
1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione
CID 92519158
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645
1-ethyl-3-(2-hydroxyethyl)imidazolidine-2,4,5-trione
CID 126988687
3-[(2,2-dichlorocyclopropyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18171164
2-ethyl-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2954371
1,1-dichloro-2-(chloromethyl)cyclopropane
CID 10953803
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 9374526
2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione
CID 124927037
1,3-diethyl-5-(triphenyl-λ5-phosphanylidene)-1,3-diazinane-2,4,6-trione
CID 4068034
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 7824204

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione (CID 51726383) is 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O.
What is the InChIKey of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is QCNKPZIKBXKMKG-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-2-12-6(14)7(15)13(8(12)16)4-5-3-9(5,10)11/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione?
1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 265.10 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2,2-dichlorocyclopropyl]methyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 51726383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).