(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

C15H13NO2 — CID 5465886

IUPAC(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1\CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H13NO2/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/b16-13+
InChIKeyZBLUTZFHSCCKFN-DTQAZKPQSA-N
MW239.27 g/mol
LogP3.39
Rot. Bonds1

About (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 5465886) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID5465886
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1\CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H13NO2/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/b16-13+
InChIKeyZBLUTZFHSCCKFN-DTQAZKPQSA-N
XLogP3.39
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 5465886) is (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is O/N=C1\CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is ZBLUTZFHSCCKFN-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H13NO2/c17-16-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15,17H,10H2/b16-13+.
What are the key properties of (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 239.27 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 5465886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).