4-amino-10H-anthracen-9-one

C14H11NO — CID 10954793

IUPAC4-amino-10H-anthracen-9-one
SMILESNc1cccc2c1Cc1ccccc1C2=O
InChIInChI=1S/C14H11NO/c15-13-7-3-6-11-12(13)8-9-4-1-2-5-10(9)14(11)16/h1-7H,8,15H2
InChIKeyJDLMJXBQXXFQAK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.40
Rot. Bonds

About 4-amino-10H-anthracen-9-one

4-amino-10H-anthracen-9-one (PubChem CID 10954793) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-10H-anthracen-9-one.

Molecular Properties

Compound Name4-amino-10H-anthracen-9-one
PubChem CID10954793
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-amino-10H-anthracen-9-one
SMILESNc1cccc2c1Cc1ccccc1C2=O
InChIInChI=1S/C14H11NO/c15-13-7-3-6-11-12(13)8-9-4-1-2-5-10(9)14(11)16/h1-7H,8,15H2
InChIKeyJDLMJXBQXXFQAK-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-10H-anthracen-9-one?
The IUPAC name of 4-amino-10H-anthracen-9-one (CID 10954793) is 4-amino-10H-anthracen-9-one.
What is the SMILES notation for 4-amino-10H-anthracen-9-one?
The canonical SMILES for 4-amino-10H-anthracen-9-one is Nc1cccc2c1Cc1ccccc1C2=O.
What is the InChIKey of 4-amino-10H-anthracen-9-one?
The InChIKey is JDLMJXBQXXFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-13-7-3-6-11-12(13)8-9-4-1-2-5-10(9)14(11)16/h1-7H,8,15H2.
What are the key properties of 4-amino-10H-anthracen-9-one?
4-amino-10H-anthracen-9-one has a molecular weight of 209.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-10H-anthracen-9-one is sourced from PubChem (CID 10954793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).