2-(1-methylquinolin-2-ylidene)acetaldehyde

C12H11NO — CID 4702150

IUPAC2-(1-methylquinolin-2-ylidene)acetaldehyde
SMILESCN1C(=CC=O)C=Cc2ccccc21
InChIInChI=1S/C12H11NO/c1-13-11(8-9-14)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3
InChIKeyBVEYXECKFYXDRF-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.23
Rot. Bonds1

About 2-(1-methylquinolin-2-ylidene)acetaldehyde

2-(1-methylquinolin-2-ylidene)acetaldehyde (PubChem CID 4702150) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(1-methylquinolin-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(1-methylquinolin-2-ylidene)acetaldehyde
PubChem CID4702150
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-(1-methylquinolin-2-ylidene)acetaldehyde
SMILESCN1C(=CC=O)C=Cc2ccccc21
InChIInChI=1S/C12H11NO/c1-13-11(8-9-14)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3
InChIKeyBVEYXECKFYXDRF-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylquinolin-2-ylidene)acetaldehyde?
The IUPAC name of 2-(1-methylquinolin-2-ylidene)acetaldehyde (CID 4702150) is 2-(1-methylquinolin-2-ylidene)acetaldehyde.
What is the SMILES notation for 2-(1-methylquinolin-2-ylidene)acetaldehyde?
The canonical SMILES for 2-(1-methylquinolin-2-ylidene)acetaldehyde is CN1C(=CC=O)C=Cc2ccccc21.
What is the InChIKey of 2-(1-methylquinolin-2-ylidene)acetaldehyde?
The InChIKey is BVEYXECKFYXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-13-11(8-9-14)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3.
What are the key properties of 2-(1-methylquinolin-2-ylidene)acetaldehyde?
2-(1-methylquinolin-2-ylidene)acetaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylquinolin-2-ylidene)acetaldehyde is sourced from PubChem (CID 4702150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).