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

C7H13N3O3 — CID 52951916

IUPAC(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine
SMILESCOCCN1CCN/C1=C\[N+](=O)[O-]
InChIInChI=1S/C7H13N3O3/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6+
InChIKeyYQOUONFYROBORG-VOTSOKGWSA-N
MW187.20 g/mol
LogP-0.39
Rot. Bonds4

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

(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine (PubChem CID 52951916) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine
PubChem CID52951916
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine
SMILESCOCCN1CCN/C1=C\[N+](=O)[O-]
InChIInChI=1S/C7H13N3O3/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6+
InChIKeyYQOUONFYROBORG-VOTSOKGWSA-N
XLogP-0.39
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine (CID 52951916) is (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine is COCCN1CCN/C1=C\[N+](=O)[O-].
What is the InChIKey of (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is YQOUONFYROBORG-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6+.
What are the key properties of (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine?
(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 187.20 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 52951916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).