N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine

C17H13N2O2- — CID 163132499

IUPACN-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine
SMILES[O-]N(O)c1cccc2cccc(/C=N/c3ccccc3)c12
InChIInChI=1S/C17H13N2O2/c20-19(21)16-11-5-7-13-6-4-8-14(17(13)16)12-18-15-9-2-1-3-10-15/h1-12,20H/q-1/b18-12+
InChIKeyPHKLQWOUNINPFX-LDADJPATSA-N
MW277.30 g/mol
LogP4.28
Rot. Bonds3

About N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine

N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine (PubChem CID 163132499) has the molecular formula C17H13N2O2- and a molecular weight of 277.30 g/mol. Its IUPAC name is N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine
PubChem CID163132499
Molecular FormulaC17H13N2O2-
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC NameN-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine
SMILES[O-]N(O)c1cccc2cccc(/C=N/c3ccccc3)c12
InChIInChI=1S/C17H13N2O2/c20-19(21)16-11-5-7-13-6-4-8-14(17(13)16)12-18-15-9-2-1-3-10-15/h1-12,20H/q-1/b18-12+
InChIKeyPHKLQWOUNINPFX-LDADJPATSA-N
XLogP4.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
8-[[4-[4-[(8-carboxynaphthalen-1-yl)methylideneamino]phenyl]phenyl]iminomethyl]naphthalene-1-carboxylic acid
CID 171983062
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
N-benzyl-2-(phenyliminomethyl)-N-prop-2-enylaniline
CID 86018952
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10755862
8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10733705
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine?
The IUPAC name of N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine (CID 163132499) is N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine?
The canonical SMILES for N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine is [O-]N(O)c1cccc2cccc(/C=N/c3ccccc3)c12.
What is the InChIKey of N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine?
The InChIKey is PHKLQWOUNINPFX-LDADJPATSA-N. The full InChI is InChI=1S/C17H13N2O2/c20-19(21)16-11-5-7-13-6-4-8-14(17(13)16)12-18-15-9-2-1-3-10-15/h1-12,20H/q-1/b18-12+.
What are the key properties of N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine?
N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine has a molecular weight of 277.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine is sourced from PubChem (CID 163132499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).