acetaldehyde;2-methylidene-1H-quinoxaline

C11H12N2O — CID 142957624

IUPACacetaldehyde;2-methylidene-1H-quinoxaline
SMILESC=C1C=Nc2ccccc2N1.CC=O
InChIInChI=1S/C9H8N2.C2H4O/c1-7-6-10-8-4-2-3-5-9(8)11-7;1-2-3/h2-6,11H,1H2;2H,1H3
InChIKeyQXQONYFWJQVPKD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.53
Rot. Bonds

About acetaldehyde;2-methylidene-1H-quinoxaline

acetaldehyde;2-methylidene-1H-quinoxaline (PubChem CID 142957624) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is acetaldehyde;2-methylidene-1H-quinoxaline.

Molecular Properties

Compound Nameacetaldehyde;2-methylidene-1H-quinoxaline
PubChem CID142957624
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Nameacetaldehyde;2-methylidene-1H-quinoxaline
SMILESC=C1C=Nc2ccccc2N1.CC=O
InChIInChI=1S/C9H8N2.C2H4O/c1-7-6-10-8-4-2-3-5-9(8)11-7;1-2-3/h2-6,11H,1H2;2H,1H3
InChIKeyQXQONYFWJQVPKD-UHFFFAOYSA-N
XLogP2.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-methylidene-1H-quinoxaline?
The IUPAC name of acetaldehyde;2-methylidene-1H-quinoxaline (CID 142957624) is acetaldehyde;2-methylidene-1H-quinoxaline.
What is the SMILES notation for acetaldehyde;2-methylidene-1H-quinoxaline?
The canonical SMILES for acetaldehyde;2-methylidene-1H-quinoxaline is C=C1C=Nc2ccccc2N1.CC=O.
What is the InChIKey of acetaldehyde;2-methylidene-1H-quinoxaline?
The InChIKey is QXQONYFWJQVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H4O/c1-7-6-10-8-4-2-3-5-9(8)11-7;1-2-3/h2-6,11H,1H2;2H,1H3.
What are the key properties of acetaldehyde;2-methylidene-1H-quinoxaline?
acetaldehyde;2-methylidene-1H-quinoxaline has a molecular weight of 188.23 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-methylidene-1H-quinoxaline is sourced from PubChem (CID 142957624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).