(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H9Cl2NO — CID 14976592

IUPAC(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H9Cl2NO/c11-8-4-6-2-1-3-10(13-14)7(6)5-9(8)12/h4-5,14H,1-3H2/b13-10+
InChIKeyJYQMOZYCQZDWRU-JLHYYAGUSA-N
MW230.09 g/mol
LogP3.51
Rot. Bonds

About (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 14976592) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID14976592
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H9Cl2NO/c11-8-4-6-2-1-3-10(13-14)7(6)5-9(8)12/h4-5,14H,1-3H2/b13-10+
InChIKeyJYQMOZYCQZDWRU-JLHYYAGUSA-N
XLogP3.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 14976592) is (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1\CCCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is JYQMOZYCQZDWRU-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-8-4-6-2-1-3-10(13-14)7(6)5-9(8)12/h4-5,14H,1-3H2/b13-10+.
What are the key properties of (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 230.09 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 14976592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).