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

C24H21NO2 — CID 158869252

IUPAC4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c2ccccc12.Cc1ccc(C=O)c2ccccc12
InChIInChI=1S/C12H11NO.C12H10O/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12;1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8,14H,1H3;2-8H,1H3/b13-8+;
InChIKeyJBQCVGGZTIINFI-FNXZNAJJSA-N
MW355.44 g/mol
LogP5.92
Rot. Bonds2

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

4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 158869252) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID158869252
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c2ccccc12.Cc1ccc(C=O)c2ccccc12
InChIInChI=1S/C12H11NO.C12H10O/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12;1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8,14H,1H3;2-8H,1H3/b13-8+;
InChIKeyJBQCVGGZTIINFI-FNXZNAJJSA-N
XLogP5.92
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine
CID 172931480
(4-formylnaphthalen-1-yl) acetate
CID 15584813
4-acetylnaphthalene-1-carbaldehyde
CID 59092057
4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde
CID 22999338
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
CID 136951407
4-hydroxy-5-methylnaphthalene-1-carbaldehyde
CID 14986452
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde
CID 144720228

Frequently Asked Questions

What is the IUPAC name of 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine (CID 158869252) is 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine is Cc1ccc(/C=N/O)c2ccccc12.Cc1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is JBQCVGGZTIINFI-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H11NO.C12H10O/c1-9-6-7-10(8-13-14)12-5-3-2-4-11(9)12;1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8,14H,1H3;2-8H,1H3/b13-8+;.
What are the key properties of 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine?
4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 355.44 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 158869252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).