2-methylacridine-9-carbaldehyde

C15H11NO — CID 2724174

IUPAC2-methylacridine-9-carbaldehyde
SMILESCc1ccc2nc3ccccc3c(C=O)c2c1
InChIInChI=1S/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3
InChIKeyPIBZGMVFXCKDER-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.51
Rot. Bonds1

About 2-methylacridine-9-carbaldehyde

2-methylacridine-9-carbaldehyde (PubChem CID 2724174) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methylacridine-9-carbaldehyde.

Molecular Properties

Compound Name2-methylacridine-9-carbaldehyde
PubChem CID2724174
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-methylacridine-9-carbaldehyde
SMILESCc1ccc2nc3ccccc3c(C=O)c2c1
InChIInChI=1S/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3
InChIKeyPIBZGMVFXCKDER-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylacridine-9-carbaldehyde?
The IUPAC name of 2-methylacridine-9-carbaldehyde (CID 2724174) is 2-methylacridine-9-carbaldehyde.
What is the SMILES notation for 2-methylacridine-9-carbaldehyde?
The canonical SMILES for 2-methylacridine-9-carbaldehyde is Cc1ccc2nc3ccccc3c(C=O)c2c1.
What is the InChIKey of 2-methylacridine-9-carbaldehyde?
The InChIKey is PIBZGMVFXCKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3.
What are the key properties of 2-methylacridine-9-carbaldehyde?
2-methylacridine-9-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylacridine-9-carbaldehyde is sourced from PubChem (CID 2724174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).