3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C11H16Cl2N2O2 — CID 2332981

IUPAC3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H]2C(C)(C)C2(Cl)Cl)C1=O
InChIInChI=1S/C11H16Cl2N2O2/c1-9(2)6(11(9,12)13)5-15-7(16)10(3,4)14-8(15)17/h6H,5H2,1-4H3,(H,14,17)/t6-/m1/s1
InChIKeyFYBOFCDFELTKAI-ZCFIWIBFSA-N
MW279.17 g/mol
LogP2.15
Rot. Bonds2

About 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2332981) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2332981
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H]2C(C)(C)C2(Cl)Cl)C1=O
InChIInChI=1S/C11H16Cl2N2O2/c1-9(2)6(11(9,12)13)5-15-7(16)10(3,4)14-8(15)17/h6H,5H2,1-4H3,(H,14,17)/t6-/m1/s1
InChIKeyFYBOFCDFELTKAI-ZCFIWIBFSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2332981) is 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H]2C(C)(C)C2(Cl)Cl)C1=O.
What is the InChIKey of 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FYBOFCDFELTKAI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-9(2)6(11(9,12)13)5-15-7(16)10(3,4)14-8(15)17/h6H,5H2,1-4H3,(H,14,17)/t6-/m1/s1.
What are the key properties of 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 279.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2,2-dichloro-3,3-dimethylcyclopropyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2332981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).