(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine

C13H13NO2 — CID 122179750

IUPAC(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine
SMILESC/C(COc1ccc2ccccc2c1)=N\O
InChIInChI=1S/C13H13NO2/c1-10(14-15)9-16-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,15H,9H2,1H3/b14-10+
InChIKeyFTJCPXDKJMYZTR-GXDHUFHOSA-N
MW215.25 g/mol
LogP3.07
Rot. Bonds3

About (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine

(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine (PubChem CID 122179750) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine
PubChem CID122179750
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine
SMILESC/C(COc1ccc2ccccc2c1)=N\O
InChIInChI=1S/C13H13NO2/c1-10(14-15)9-16-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,15H,9H2,1H3/b14-10+
InChIKeyFTJCPXDKJMYZTR-GXDHUFHOSA-N
XLogP3.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.07
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

2-Methoxynaphthalene
CID 7119
2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
2-(2-Naphthoxy)ethanol
CID 7131
2-(Naphthalen-2-yloxy)acetonitrile
CID 1567745
1-Ethoxynaphthalene
CID 21403
2-Methoxy-1-naphthaldehyde oxime
CID 6898846
2,6-Dimethoxynaphthalene
CID 79627
2-(2-Bromoethoxy)naphthalene
CID 640692
2-Naphthyl propyl ether
CID 243587

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine (CID 122179750) is (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine is C/C(COc1ccc2ccccc2c1)=N\O.
What is the InChIKey of (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine?
The InChIKey is FTJCPXDKJMYZTR-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(14-15)9-16-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,15H,9H2,1H3/b14-10+.
What are the key properties of (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine?
(NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine has a molecular weight of 215.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-naphthalen-2-yloxypropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 122179750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).