1-(2-chlorobutanoyl)imidazolidin-2-one

C7H11ClN2O2 — CID 16786747

IUPAC1-(2-chlorobutanoyl)imidazolidin-2-one
SMILESCCC(Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C7H11ClN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyGZONCJZCINAINJ-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.56
Rot. Bonds2

About 1-(2-chlorobutanoyl)imidazolidin-2-one

1-(2-chlorobutanoyl)imidazolidin-2-one (PubChem CID 16786747) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(2-chlorobutanoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorobutanoyl)imidazolidin-2-one
PubChem CID16786747
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(2-chlorobutanoyl)imidazolidin-2-one
SMILESCCC(Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C7H11ClN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyGZONCJZCINAINJ-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butanoylimidazolidin-2-one
CID 12771230
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765
ethyl 3-ethyl-2-(2-oxoimidazolidin-1-yl)pent-2-enoate
CID 68659285
(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8541172
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67409048
N-iodo-N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
CID 19905885
1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 99825904
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobutanoyl)imidazolidin-2-one?
The IUPAC name of 1-(2-chlorobutanoyl)imidazolidin-2-one (CID 16786747) is 1-(2-chlorobutanoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-chlorobutanoyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-chlorobutanoyl)imidazolidin-2-one is CCC(Cl)C(=O)N1CCNC1=O.
What is the InChIKey of 1-(2-chlorobutanoyl)imidazolidin-2-one?
The InChIKey is GZONCJZCINAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-2-5(8)6(11)10-4-3-9-7(10)12/h5H,2-4H2,1H3,(H,9,12).
What are the key properties of 1-(2-chlorobutanoyl)imidazolidin-2-one?
1-(2-chlorobutanoyl)imidazolidin-2-one has a molecular weight of 190.63 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobutanoyl)imidazolidin-2-one is sourced from PubChem (CID 16786747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).