1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one

C10H14Cl2N2O2 — CID 12923518

IUPAC1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESCCC12CCC(=O)N1CCN2C(=O)C(Cl)Cl
InChIInChI=1S/C10H14Cl2N2O2/c1-2-10-4-3-7(15)13(10)5-6-14(10)9(16)8(11)12/h8H,2-6H2,1H3
InChIKeyVFYOBXHVJLWGBC-UHFFFAOYSA-N
MW265.14 g/mol
LogP1.36
Rot. Bonds2

About 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one

1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one (PubChem CID 12923518) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one
PubChem CID12923518
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESCCC12CCC(=O)N1CCN2C(=O)C(Cl)Cl
InChIInChI=1S/C10H14Cl2N2O2/c1-2-10-4-3-7(15)13(10)5-6-14(10)9(16)8(11)12/h8H,2-6H2,1H3
InChIKeyVFYOBXHVJLWGBC-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one (CID 12923518) is 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one is CCC12CCC(=O)N1CCN2C(=O)C(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The InChIKey is VFYOBXHVJLWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-2-10-4-3-7(15)13(10)5-6-14(10)9(16)8(11)12/h8H,2-6H2,1H3.
What are the key properties of 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one?
1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one has a molecular weight of 265.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroacetyl)-7a-ethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 12923518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).