1-aminophenanthrene-9,10-dione

C14H9NO2 — CID 10632854

IUPAC1-aminophenanthrene-9,10-dione
SMILESNc1cccc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)14(17)12(9)11/h1-7H,15H2
InChIKeyIPCICROLQBDSRE-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.31
Rot. Bonds

About 1-aminophenanthrene-9,10-dione

1-aminophenanthrene-9,10-dione (PubChem CID 10632854) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-aminophenanthrene-9,10-dione.

Molecular Properties

Compound Name1-aminophenanthrene-9,10-dione
PubChem CID10632854
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name1-aminophenanthrene-9,10-dione
SMILESNc1cccc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)14(17)12(9)11/h1-7H,15H2
InChIKeyIPCICROLQBDSRE-UHFFFAOYSA-N
XLogP2.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-Aminoanthraquinone
CID 8341
Nepafenac
CID 151075
Disperse Blue 1
CID 17190
Disperse Violet 1
CID 31420
2-Methyl-1-nitroanthraquinone
CID 31426
1-Amino-2-methylanthraquinone
CID 6702
1-Amino-5-chloroanthraquinone
CID 8327
1-Aminoanthraquinone
CID 6710
1,5-Diaminoanthraquinone
CID 8513
1-Nitroanthraquinone
CID 6704
Solvent Red 111
CID 6706
2,6-Diaminoanthraquinone
CID 8557

Frequently Asked Questions

What is the IUPAC name of 1-aminophenanthrene-9,10-dione?
The IUPAC name of 1-aminophenanthrene-9,10-dione (CID 10632854) is 1-aminophenanthrene-9,10-dione.
What is the SMILES notation for 1-aminophenanthrene-9,10-dione?
The canonical SMILES for 1-aminophenanthrene-9,10-dione is Nc1cccc2c1C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 1-aminophenanthrene-9,10-dione?
The InChIKey is IPCICROLQBDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)14(17)12(9)11/h1-7H,15H2.
What are the key properties of 1-aminophenanthrene-9,10-dione?
1-aminophenanthrene-9,10-dione has a molecular weight of 223.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminophenanthrene-9,10-dione is sourced from PubChem (CID 10632854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).