(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine

C19H13NO — CID 15181387

IUPAC(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(C#Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H13NO/c21-20-14-17-5-3-4-15(12-17)8-9-16-10-11-18-6-1-2-7-19(18)13-16/h1-7,10-14,21H/b20-14+
InChIKeyONHZUJCJYPABDV-XSFVSMFZSA-N
MW271.32 g/mol
LogP4.05
Rot. Bonds1

About (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine (PubChem CID 15181387) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine
PubChem CID15181387
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cccc(C#Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H13NO/c21-20-14-17-5-3-4-15(12-17)8-9-16-10-11-18-6-1-2-7-19(18)13-16/h1-7,10-14,21H/b20-14+
InChIKeyONHZUJCJYPABDV-XSFVSMFZSA-N
XLogP4.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.05
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine (CID 15181387) is (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine is O/N=C/c1cccc(C#Cc2ccc3ccccc3c2)c1.
What is the InChIKey of (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine?
The InChIKey is ONHZUJCJYPABDV-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H13NO/c21-20-14-17-5-3-4-15(12-17)8-9-16-10-11-18-6-1-2-7-19(18)13-16/h1-7,10-14,21H/b20-14+.
What are the key properties of (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 15181387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).