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

C11H13NO2 — CID 5216162

IUPACN-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)CCCC2=NO
InChIInChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3
InChIKeyQEPLWBMPKVIAOH-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.21
Rot. Bonds1

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

N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 5216162) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID5216162
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)CCCC2=NO
InChIInChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3
InChIKeyQEPLWBMPKVIAOH-UHFFFAOYSA-N
XLogP2.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 5216162) is N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is COc1ccc2c(c1)CCCC2=NO.
What is the InChIKey of N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is QEPLWBMPKVIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3.
What are the key properties of N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 191.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 5216162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).