(2E)-1-ethyl-2-(nitromethylidene)imidazolidine

C6H11N3O2 — CID 14468972

IUPAC(2E)-1-ethyl-2-(nitromethylidene)imidazolidine
SMILESCCN1CCN/C1=C\[N+](=O)[O-]
InChIInChI=1S/C6H11N3O2/c1-2-8-4-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3/b6-5+
InChIKeyNWTAFJPVDKNLOZ-AATRIKPKSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds2

About (2E)-1-ethyl-2-(nitromethylidene)imidazolidine

(2E)-1-ethyl-2-(nitromethylidene)imidazolidine (PubChem CID 14468972) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2E)-1-ethyl-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name(2E)-1-ethyl-2-(nitromethylidene)imidazolidine
PubChem CID14468972
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2E)-1-ethyl-2-(nitromethylidene)imidazolidine
SMILESCCN1CCN/C1=C\[N+](=O)[O-]
InChIInChI=1S/C6H11N3O2/c1-2-8-4-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3/b6-5+
InChIKeyNWTAFJPVDKNLOZ-AATRIKPKSA-N
XLogP-0.01
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
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 (2E)-1-ethyl-2-(nitromethylidene)imidazolidine?
The IUPAC name of (2E)-1-ethyl-2-(nitromethylidene)imidazolidine (CID 14468972) is (2E)-1-ethyl-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for (2E)-1-ethyl-2-(nitromethylidene)imidazolidine?
The canonical SMILES for (2E)-1-ethyl-2-(nitromethylidene)imidazolidine is CCN1CCN/C1=C\[N+](=O)[O-].
What is the InChIKey of (2E)-1-ethyl-2-(nitromethylidene)imidazolidine?
The InChIKey is NWTAFJPVDKNLOZ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-8-4-3-7-6(8)5-9(10)11/h5,7H,2-4H2,1H3/b6-5+.
What are the key properties of (2E)-1-ethyl-2-(nitromethylidene)imidazolidine?
(2E)-1-ethyl-2-(nitromethylidene)imidazolidine has a molecular weight of 157.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethyl-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 14468972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).