3,8-dimethylquinolizine-4-carbaldehyde

C12H11NO — CID 123539724

IUPAC3,8-dimethylquinolizine-4-carbaldehyde
SMILESCC1=CC2=C=CC(C)=C(C=O)N2C=C1
InChIInChI=1S/C12H11NO/c1-9-5-6-13-11(7-9)4-3-10(2)12(13)8-14/h3,5-8H,1-2H3
InChIKeyYIUAMNNBDIPPLM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.29
Rot. Bonds1

About 3,8-dimethylquinolizine-4-carbaldehyde

3,8-dimethylquinolizine-4-carbaldehyde (PubChem CID 123539724) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,8-dimethylquinolizine-4-carbaldehyde.

Molecular Properties

Compound Name3,8-dimethylquinolizine-4-carbaldehyde
PubChem CID123539724
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3,8-dimethylquinolizine-4-carbaldehyde
SMILESCC1=CC2=C=CC(C)=C(C=O)N2C=C1
InChIInChI=1S/C12H11NO/c1-9-5-6-13-11(7-9)4-3-10(2)12(13)8-14/h3,5-8H,1-2H3
InChIKeyYIUAMNNBDIPPLM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylquinolizine-4-carbaldehyde?
The IUPAC name of 3,8-dimethylquinolizine-4-carbaldehyde (CID 123539724) is 3,8-dimethylquinolizine-4-carbaldehyde.
What is the SMILES notation for 3,8-dimethylquinolizine-4-carbaldehyde?
The canonical SMILES for 3,8-dimethylquinolizine-4-carbaldehyde is CC1=CC2=C=CC(C)=C(C=O)N2C=C1.
What is the InChIKey of 3,8-dimethylquinolizine-4-carbaldehyde?
The InChIKey is YIUAMNNBDIPPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-5-6-13-11(7-9)4-3-10(2)12(13)8-14/h3,5-8H,1-2H3.
What are the key properties of 3,8-dimethylquinolizine-4-carbaldehyde?
3,8-dimethylquinolizine-4-carbaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylquinolizine-4-carbaldehyde is sourced from PubChem (CID 123539724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).