8-aminoanthracene-2-carbaldehyde

C15H11NO — CID 23131370

IUPAC8-aminoanthracene-2-carbaldehyde
SMILESNc1cccc2cc3ccc(C=O)cc3cc12
InChIInChI=1S/C15H11NO/c16-15-3-1-2-12-7-11-5-4-10(9-17)6-13(11)8-14(12)15/h1-9H,16H2
InChIKeyHBHKQCWYYAUYGK-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.39
Rot. Bonds1

About 8-aminoanthracene-2-carbaldehyde

8-aminoanthracene-2-carbaldehyde (PubChem CID 23131370) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-aminoanthracene-2-carbaldehyde.

Molecular Properties

Compound Name8-aminoanthracene-2-carbaldehyde
PubChem CID23131370
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name8-aminoanthracene-2-carbaldehyde
SMILESNc1cccc2cc3ccc(C=O)cc3cc12
InChIInChI=1S/C15H11NO/c16-15-3-1-2-12-7-11-5-4-10(9-17)6-13(11)8-14(12)15/h1-9H,16H2
InChIKeyHBHKQCWYYAUYGK-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 8-aminoanthracene-2-carbaldehyde?
The IUPAC name of 8-aminoanthracene-2-carbaldehyde (CID 23131370) is 8-aminoanthracene-2-carbaldehyde.
What is the SMILES notation for 8-aminoanthracene-2-carbaldehyde?
The canonical SMILES for 8-aminoanthracene-2-carbaldehyde is Nc1cccc2cc3ccc(C=O)cc3cc12.
What is the InChIKey of 8-aminoanthracene-2-carbaldehyde?
The InChIKey is HBHKQCWYYAUYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-15-3-1-2-12-7-11-5-4-10(9-17)6-13(11)8-14(12)15/h1-9H,16H2.
What are the key properties of 8-aminoanthracene-2-carbaldehyde?
8-aminoanthracene-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoanthracene-2-carbaldehyde is sourced from PubChem (CID 23131370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).