1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine

C9H11N3O3 — CID 71378211

IUPAC1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1Cc1ccoc1
InChIInChI=1S/C9H11N3O3/c13-12(14)6-9-10-2-3-11(9)5-8-1-4-15-7-8/h1,4,6-7,10H,2-3,5H2
InChIKeyBSOQIOUYWGEUBE-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.76
Rot. Bonds3

About 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine

1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine (PubChem CID 71378211) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine
PubChem CID71378211
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1Cc1ccoc1
InChIInChI=1S/C9H11N3O3/c13-12(14)6-9-10-2-3-11(9)5-8-1-4-15-7-8/h1,4,6-7,10H,2-3,5H2
InChIKeyBSOQIOUYWGEUBE-UHFFFAOYSA-N
XLogP0.76
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.76
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 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine (CID 71378211) is 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine is O=[N+]([O-])C=C1NCCN1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is BSOQIOUYWGEUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)6-9-10-2-3-11(9)5-8-1-4-15-7-8/h1,4,6-7,10H,2-3,5H2.
What are the key properties of 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine?
1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 209.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 71378211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).