(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine

C9H12N4O2 — CID 14009808

IUPAC(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1ccc[nH]1
InChIInChI=1S/C9H12N4O2/c14-13(15)7-9-11-4-5-12(9)6-8-2-1-3-10-8/h1-3,7,10-11H,4-6H2/b9-7+
InChIKeyWGAIOXKWUFBTLX-VQHVLOKHSA-N
MW208.22 g/mol
LogP0.50
Rot. Bonds3

About (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine

(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine (PubChem CID 14009808) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine.

Molecular Properties

Compound Name(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine
PubChem CID14009808
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1ccc[nH]1
InChIInChI=1S/C9H12N4O2/c14-13(15)7-9-11-4-5-12(9)6-8-2-1-3-10-8/h1-3,7,10-11H,4-6H2/b9-7+
InChIKeyWGAIOXKWUFBTLX-VQHVLOKHSA-N
XLogP0.50
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
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)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine?
The IUPAC name of (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine (CID 14009808) is (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine.
What is the SMILES notation for (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine?
The canonical SMILES for (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine is O=[N+]([O-])/C=C1\NCCN1Cc1ccc[nH]1.
What is the InChIKey of (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine?
The InChIKey is WGAIOXKWUFBTLX-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-13(15)7-9-11-4-5-12(9)6-8-2-1-3-10-8/h1-3,7,10-11H,4-6H2/b9-7+.
What are the key properties of (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine?
(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine has a molecular weight of 208.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine is sourced from PubChem (CID 14009808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).