(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine

C7H8Cl3N3O2 — CID 6030481

IUPAC(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine
SMILESCN1CCN/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-]
InChIInChI=1S/C7H8Cl3N3O2/c1-12-3-2-11-7(12)5(13(14)15)4(8)6(9)10/h11H,2-3H2,1H3/b7-5-
InChIKeyASTAOQLBUXWNNV-ALCCZGGFSA-N
MW272.52 g/mol
LogP1.85
Rot. Bonds2

About (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine

(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine (PubChem CID 6030481) has the molecular formula C7H8Cl3N3O2 and a molecular weight of 272.52 g/mol. Its IUPAC name is (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine.

Molecular Properties

Compound Name(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine
PubChem CID6030481
Molecular FormulaC7H8Cl3N3O2
Molecular Weight272.52 g/mol
Exact Mass270.97
IUPAC Name(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine
SMILESCN1CCN/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-]
InChIInChI=1S/C7H8Cl3N3O2/c1-12-3-2-11-7(12)5(13(14)15)4(8)6(9)10/h11H,2-3H2,1H3/b7-5-
InChIKeyASTAOQLBUXWNNV-ALCCZGGFSA-N
XLogP1.85
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine?
The IUPAC name of (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine (CID 6030481) is (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine.
What is the SMILES notation for (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine?
The canonical SMILES for (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine is CN1CCN/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-].
What is the InChIKey of (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine?
The InChIKey is ASTAOQLBUXWNNV-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H8Cl3N3O2/c1-12-3-2-11-7(12)5(13(14)15)4(8)6(9)10/h11H,2-3H2,1H3/b7-5-.
What are the key properties of (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine?
(2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine has a molecular weight of 272.52 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidine is sourced from PubChem (CID 6030481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).