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

C11H13N3O2 — CID 56697261

IUPAC(2E)-1-benzyl-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1ccccc1
InChIInChI=1S/C11H13N3O2/c15-14(16)9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/b11-9+
InChIKeyAMSZBACOVUMMSU-PKNBQFBNSA-N
MW219.24 g/mol
LogP1.17
Rot. Bonds3

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

(2E)-1-benzyl-2-(nitromethylidene)imidazolidine (PubChem CID 56697261) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2E)-1-benzyl-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name(2E)-1-benzyl-2-(nitromethylidene)imidazolidine
PubChem CID56697261
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(2E)-1-benzyl-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1ccccc1
InChIInChI=1S/C11H13N3O2/c15-14(16)9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/b11-9+
InChIKeyAMSZBACOVUMMSU-PKNBQFBNSA-N
XLogP1.17
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.17
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-benzyl-2-(nitromethylidene)imidazolidine?
The IUPAC name of (2E)-1-benzyl-2-(nitromethylidene)imidazolidine (CID 56697261) is (2E)-1-benzyl-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for (2E)-1-benzyl-2-(nitromethylidene)imidazolidine?
The canonical SMILES for (2E)-1-benzyl-2-(nitromethylidene)imidazolidine is O=[N+]([O-])/C=C1\NCCN1Cc1ccccc1.
What is the InChIKey of (2E)-1-benzyl-2-(nitromethylidene)imidazolidine?
The InChIKey is AMSZBACOVUMMSU-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/b11-9+.
What are the key properties of (2E)-1-benzyl-2-(nitromethylidene)imidazolidine?
(2E)-1-benzyl-2-(nitromethylidene)imidazolidine has a molecular weight of 219.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-benzyl-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 56697261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).