(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine

C9H9NO2 — CID 6125122

IUPAC(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCOc2ccccc21
InChIInChI=1S/C9H9NO2/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-
InChIKeyLOWLISSVPQGXNV-NTMALXAHSA-N
MW163.18 g/mol
LogP1.65
Rot. Bonds

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

(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 6125122) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID6125122
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCOc2ccccc21
InChIInChI=1S/C9H9NO2/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-
InChIKeyLOWLISSVPQGXNV-NTMALXAHSA-N
XLogP1.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.65
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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Related Compounds

CID 5331442
CID 5331442
CID 5397262
CID 5397262
CID 9601268
CID 9601268
CID 136319
CID 136319
CID 5767803
CID 5767803
CID 6867701
CID 6867701
CID 5355943
CID 5355943
CID 9673039
CID 9673039
CID 11229314
CID 11229314
CID 5340604
CID 5340604
CID 6537802
CID 6537802
CID 6898163
CID 6898163

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 6125122) is (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine is O/N=C1/CCOc2ccccc21.
What is the InChIKey of (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is LOWLISSVPQGXNV-NTMALXAHSA-N. The full InChI is InChI=1S/C9H9NO2/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-.
What are the key properties of (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 163.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 6125122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).