(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine

C10H8N2O — CID 135491058

IUPAC(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C10H8N2O/c13-11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-7,13H/b11-7+
InChIKeyBOHDZKSQXXJHBO-YRNVUSSQSA-N
MW172.19 g/mol
LogP2.04
Rot. Bonds1

About (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine

(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine (PubChem CID 135491058) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine
PubChem CID135491058
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C10H8N2O/c13-11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-7,13H/b11-7+
InChIKeyBOHDZKSQXXJHBO-YRNVUSSQSA-N
XLogP2.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(quinolin-2-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine (CID 135491058) is (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine is O/N=C/c1ccc2ccccc2n1.
What is the InChIKey of (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine?
The InChIKey is BOHDZKSQXXJHBO-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H8N2O/c13-11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-7,13H/b11-7+.
What are the key properties of (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine?
(NE)-N-(quinolin-2-ylmethylidene)hydroxylamine has a molecular weight of 172.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(quinolin-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 135491058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).