(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine

C14H13NO — CID 12003652

IUPAC(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
SMILESCc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(15-16)12-8-3-2-4-9-12/h2-10,16H,1H3/b15-14+
InChIKeyLPPDZXBOXFRKCB-CCEZHUSRSA-N
MW211.26 g/mol
LogP3.22
Rot. Bonds2

About (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine

(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine (PubChem CID 12003652) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
PubChem CID12003652
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
SMILESCc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(15-16)12-8-3-2-4-9-12/h2-10,16H,1H3/b15-14+
InChIKeyLPPDZXBOXFRKCB-CCEZHUSRSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine (CID 12003652) is (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine is Cc1ccccc1/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is LPPDZXBOXFRKCB-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(15-16)12-8-3-2-4-9-12/h2-10,16H,1H3/b15-14+.
What are the key properties of (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 211.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 12003652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).