(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine

C19H14N2O2 — CID 135400490

IUPAC(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2/C(=N/O)C1c1cccc2ccccc12
InChIInChI=1S/C19H14N2O2/c22-20-18-15-9-3-4-10-16(15)19(21-23)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17,22-23H/b20-18-,21-19+
InChIKeyPVMKFHVJUDWPHH-ZVDLMZJTSA-N
MW302.33 g/mol
LogP3.99
Rot. Bonds1

About (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine

(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine (PubChem CID 135400490) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine
PubChem CID135400490
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2/C(=N/O)C1c1cccc2ccccc12
InChIInChI=1S/C19H14N2O2/c22-20-18-15-9-3-4-10-16(15)19(21-23)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17,22-23H/b20-18-,21-19+
InChIKeyPVMKFHVJUDWPHH-ZVDLMZJTSA-N
XLogP3.99
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine (CID 135400490) is (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine is O/N=C1\c2ccccc2/C(=N/O)C1c1cccc2ccccc12.
What is the InChIKey of (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine?
The InChIKey is PVMKFHVJUDWPHH-ZVDLMZJTSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-20-18-15-9-3-4-10-16(15)19(21-23)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17,22-23H/b20-18-,21-19+.
What are the key properties of (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine?
(NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine has a molecular weight of 302.33 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3E)-3-hydroxyimino-2-naphthalen-1-ylinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135400490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).