N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H9Cl2NO — CID 131848892

IUPACN-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H9Cl2NO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13-14/h4-5,14H,1-3H2
InChIKeyHZNIPTLGWRVNBL-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.51
Rot. Bonds

About N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 131848892) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID131848892
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC NameN-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H9Cl2NO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13-14/h4-5,14H,1-3H2
InChIKeyHZNIPTLGWRVNBL-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 131848892) is N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is ON=C1CCCc2c1ccc(Cl)c2Cl.
What is the InChIKey of N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is HZNIPTLGWRVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13-14/h4-5,14H,1-3H2.
What are the key properties of N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
N-(5,6-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 N-(5,6-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 131848892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).