(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine

C5H8ClN3O2 — CID 70638626

IUPAC(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine
SMILESCN1CCN/C1=C(/Cl)[N+](=O)[O-]
InChIInChI=1S/C5H8ClN3O2/c1-8-3-2-7-5(8)4(6)9(10)11/h7H,2-3H2,1H3/b5-4+
InChIKeyAZXZBPZPSMNJBI-SNAWJCMRSA-N
MW177.59 g/mol
LogP0.16
Rot. Bonds1

About (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine

(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine (PubChem CID 70638626) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine.

Molecular Properties

Compound Name(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine
PubChem CID70638626
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine
SMILESCN1CCN/C1=C(/Cl)[N+](=O)[O-]
InChIInChI=1S/C5H8ClN3O2/c1-8-3-2-7-5(8)4(6)9(10)11/h7H,2-3H2,1H3/b5-4+
InChIKeyAZXZBPZPSMNJBI-SNAWJCMRSA-N
XLogP0.16
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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)-2-[chloro(nitro)methylidene]-1-methylimidazolidine?
The IUPAC name of (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine (CID 70638626) is (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine.
What is the SMILES notation for (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine?
The canonical SMILES for (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine is CN1CCN/C1=C(/Cl)[N+](=O)[O-].
What is the InChIKey of (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine?
The InChIKey is AZXZBPZPSMNJBI-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8ClN3O2/c1-8-3-2-7-5(8)4(6)9(10)11/h7H,2-3H2,1H3/b5-4+.
What are the key properties of (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine?
(2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine has a molecular weight of 177.59 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[chloro(nitro)methylidene]-1-methylimidazolidine is sourced from PubChem (CID 70638626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).