(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C13H13N3O — CID 19794642

IUPAC(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1/c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C13H13N3O/c17-15-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-14-9-16/h1-4,7-9,12,17H,5-6H2/b15-13-
InChIKeyOXJORAYFBNXSIF-SQFISAMPSA-N
MW227.27 g/mol
LogP2.25
Rot. Bonds1

About (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 19794642) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID19794642
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1/c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C13H13N3O/c17-15-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-14-9-16/h1-4,7-9,12,17H,5-6H2/b15-13-
InChIKeyOXJORAYFBNXSIF-SQFISAMPSA-N
XLogP2.25
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 19794642) is (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1/c2ccccc2CCC1n1ccnc1.
What is the InChIKey of (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is OXJORAYFBNXSIF-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13N3O/c17-15-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-14-9-16/h1-4,7-9,12,17H,5-6H2/b15-13-.
What are the key properties of (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 227.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 19794642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).