(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine

C12H11NO — CID 14119212

IUPAC(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c2ccccc12
InChIInChI=1S/C12H11NO/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12/h2-8,14H,1H3/b13-8+
InChIKeyODRMPGJGXNTGAZ-MDWZMJQESA-N
MW185.23 g/mol
LogP2.96
Rot. Bonds1

About (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine

(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 14119212) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID14119212
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c2ccccc12
InChIInChI=1S/C12H11NO/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12/h2-8,14H,1H3/b13-8+
InChIKeyODRMPGJGXNTGAZ-MDWZMJQESA-N
XLogP2.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.96
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-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine (CID 14119212) is (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine is Cc1ccc(/C=N/O)c2ccccc12.
What is the InChIKey of (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is ODRMPGJGXNTGAZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11NO/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12/h2-8,14H,1H3/b13-8+.
What are the key properties of (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 185.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 14119212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).