3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one

C7H11Cl3N2O — CID 126990347

IUPAC3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one
SMILESCN1CN(CCC(Cl)(Cl)Cl)CC1=O
InChIInChI=1S/C7H11Cl3N2O/c1-11-5-12(4-6(11)13)3-2-7(8,9)10/h2-5H2,1H3
InChIKeyBJRYZOCDAMHIJT-UHFFFAOYSA-N
MW245.54 g/mol
LogP1.48
Rot. Bonds2

About 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one

3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one (PubChem CID 126990347) has the molecular formula C7H11Cl3N2O and a molecular weight of 245.54 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one
PubChem CID126990347
Molecular FormulaC7H11Cl3N2O
Molecular Weight245.54 g/mol
Exact Mass243.99
IUPAC Name3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one
SMILESCN1CN(CCC(Cl)(Cl)Cl)CC1=O
InChIInChI=1S/C7H11Cl3N2O/c1-11-5-12(4-6(11)13)3-2-7(8,9)10/h2-5H2,1H3
InChIKeyBJRYZOCDAMHIJT-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 126989037
1-(2-amino-2-methylpropyl)-3-methylimidazolidin-4-one
CID 130622371
2-(3-methyl-4-oxoimidazolidin-1-yl)acetamide
CID 127013719
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one
CID 130770177
3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 127002211
1-methyl-4-prop-2-ynylpiperazin-2-one
CID 64693305
4-(3,3-dimethyl-2-oxobutyl)-1-methyl-1,4-diazepan-2-one
CID 102889641
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
4-butyl-1-methylpiperazin-2-one
CID 117005150
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one (CID 126990347) is 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one is CN1CN(CCC(Cl)(Cl)Cl)CC1=O.
What is the InChIKey of 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one?
The InChIKey is BJRYZOCDAMHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3N2O/c1-11-5-12(4-6(11)13)3-2-7(8,9)10/h2-5H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one?
3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one has a molecular weight of 245.54 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trichloropropyl)imidazolidin-4-one is sourced from PubChem (CID 126990347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).