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

C12H15NO2 — CID 21234019

IUPAC(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1C)CCC/C2=N/O
InChIInChI=1S/C12H15NO2/c1-8-9-4-3-5-11(13-14)10(9)6-7-12(8)15-2/h6-7,14H,3-5H2,1-2H3/b13-11-
InChIKeyWKNALINBNWMIOZ-QBFSEMIESA-N
MW205.26 g/mol
LogP2.52
Rot. Bonds1

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

(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 21234019) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID21234019
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1C)CCC/C2=N/O
InChIInChI=1S/C12H15NO2/c1-8-9-4-3-5-11(13-14)10(9)6-7-12(8)15-2/h6-7,14H,3-5H2,1-2H3/b13-11-
InChIKeyWKNALINBNWMIOZ-QBFSEMIESA-N
XLogP2.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.52
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 (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 21234019) is (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is COc1ccc2c(c1C)CCC/C2=N/O.
What is the InChIKey of (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is WKNALINBNWMIOZ-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-9-4-3-5-11(13-14)10(9)6-7-12(8)15-2/h6-7,14H,3-5H2,1-2H3/b13-11-.
What are the key properties of (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 21234019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).