(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine

C21H19NO2 — CID 98533854

IUPAC(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1[C@@H]1/C(=N\O)CCc2ccccc21
InChIInChI=1S/C21H19NO2/c1-24-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22-23/h2-9,11,13,20,23H,10,12H2,1H3/b22-18-/t20-/m0/s1
InChIKeyZEQNGVUZHLTMJU-XLIXHQMESA-N
MW317.39 g/mol
LogP4.76
Rot. Bonds2

About (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine

(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine (PubChem CID 98533854) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine
PubChem CID98533854
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine
SMILESCOc1ccc2ccccc2c1[C@@H]1/C(=N\O)CCc2ccccc21
InChIInChI=1S/C21H19NO2/c1-24-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22-23/h2-9,11,13,20,23H,10,12H2,1H3/b22-18-/t20-/m0/s1
InChIKeyZEQNGVUZHLTMJU-XLIXHQMESA-N
XLogP4.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.76
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-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine (CID 98533854) is (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine is COc1ccc2ccccc2c1[C@@H]1/C(=N\O)CCc2ccccc21.
What is the InChIKey of (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine?
The InChIKey is ZEQNGVUZHLTMJU-XLIXHQMESA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22-23/h2-9,11,13,20,23H,10,12H2,1H3/b22-18-/t20-/m0/s1.
What are the key properties of (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine?
(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine has a molecular weight of 317.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 98533854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).