(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine

C15H16N2OSi — CID 10778333

IUPAC(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine
SMILESC[Si](C)(C)C#Cc1nc2ccccc2cc1/C=N/O
InChIInChI=1S/C15H16N2OSi/c1-19(2,3)9-8-15-13(11-16-18)10-12-6-4-5-7-14(12)17-15/h4-7,10-11,18H,1-3H3/b16-11+
InChIKeyLXFYQEYMMMKRNY-LFIBNONCSA-N
MW268.39 g/mol
LogP3.27
Rot. Bonds1

About (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine

(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine (PubChem CID 10778333) has the molecular formula C15H16N2OSi and a molecular weight of 268.39 g/mol. Its IUPAC name is (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine
PubChem CID10778333
Molecular FormulaC15H16N2OSi
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine
SMILESC[Si](C)(C)C#Cc1nc2ccccc2cc1/C=N/O
InChIInChI=1S/C15H16N2OSi/c1-19(2,3)9-8-15-13(11-16-18)10-12-6-4-5-7-14(12)17-15/h4-7,10-11,18H,1-3H3/b16-11+
InChIKeyLXFYQEYMMMKRNY-LFIBNONCSA-N
XLogP3.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine (CID 10778333) is (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine is C[Si](C)(C)C#Cc1nc2ccccc2cc1/C=N/O.
What is the InChIKey of (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine?
The InChIKey is LXFYQEYMMMKRNY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2OSi/c1-19(2,3)9-8-15-13(11-16-18)10-12-6-4-5-7-14(12)17-15/h4-7,10-11,18H,1-3H3/b16-11+.
What are the key properties of (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine has a molecular weight of 268.39 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(2-trimethylsilylethynyl)quinolin-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 10778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).