2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol

C6H11N3O3 — CID 10374891

IUPAC2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol
SMILESO=[N+]([O-])/C=C1\NCCN1CCO
InChIInChI=1S/C6H11N3O3/c10-4-3-8-2-1-7-6(8)5-9(11)12/h5,7,10H,1-4H2/b6-5+
InChIKeyKCAVISIDSPWHEB-AATRIKPKSA-N
MW173.17 g/mol
LogP-1.04
Rot. Bonds3

About 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol

2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol (PubChem CID 10374891) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol
PubChem CID10374891
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol
SMILESO=[N+]([O-])/C=C1\NCCN1CCO
InChIInChI=1S/C6H11N3O3/c10-4-3-8-2-1-7-6(8)5-9(11)12/h5,7,10H,1-4H2/b6-5+
InChIKeyKCAVISIDSPWHEB-AATRIKPKSA-N
XLogP-1.04
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
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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Related Compounds

(2E)-1-(2-methoxyethyl)-2-(nitromethylidene)imidazolidine
CID 52951916
3-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]propan-1-ol
CID 52951919
1,1-Di(2-hydroxyethylamino)-2-nitroethylene
CID 12350855
2-(1-Methylamino-2-nitro-vinylamino)-ethanol
CID 86020896
(3-Methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
CID 70129755
1-(2-Methoxyethyl)-2-(nitromethylidene)imidazolidine
CID 71378213
2-[2-(Nitromethylidene)imidazolidin-1-yl]ethan-1-ol
CID 71394901
3-[2-(Nitromethylidene)imidazolidin-1-yl]propan-1-ol
CID 71378215
2-[2-[(5-Nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol
CID 101132493

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol (CID 10374891) is 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol is O=[N+]([O-])/C=C1\NCCN1CCO.
What is the InChIKey of 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol?
The InChIKey is KCAVISIDSPWHEB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11N3O3/c10-4-3-8-2-1-7-6(8)5-9(11)12/h5,7,10H,1-4H2/b6-5+.
What are the key properties of 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol?
2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol has a molecular weight of 173.17 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]ethanol is sourced from PubChem (CID 10374891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).