(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine

C10H11N3O — CID 137273199

IUPAC(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(/C1=NCCN1)c1ccccc1
InChIInChI=1S/C10H11N3O/c14-13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12)/b13-9+
InChIKeyORSRONZWNRLSKD-UKTHLTGXSA-N
MW189.22 g/mol
LogP0.87
Rot. Bonds2

About (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine

(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine (PubChem CID 137273199) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine
PubChem CID137273199
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(/C1=NCCN1)c1ccccc1
InChIInChI=1S/C10H11N3O/c14-13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12)/b13-9+
InChIKeyORSRONZWNRLSKD-UKTHLTGXSA-N
XLogP0.87
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine (CID 137273199) is (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine is O/N=C(/C1=NCCN1)c1ccccc1.
What is the InChIKey of (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine?
The InChIKey is ORSRONZWNRLSKD-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H11N3O/c14-13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12)/b13-9+.
What are the key properties of (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine?
(NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine has a molecular weight of 189.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 137273199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).