3-aminophenanthrene-9,10-dione

C14H9NO2 — CID 10582477

IUPAC3-aminophenanthrene-9,10-dione
SMILESNc1ccc2c(c1)-c1ccccc1C(=O)C2=O
InChIInChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,15H2
InChIKeyUYLSKNZAXKMXKJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.31
Rot. Bonds

About 3-aminophenanthrene-9,10-dione

3-aminophenanthrene-9,10-dione (PubChem CID 10582477) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-aminophenanthrene-9,10-dione.

Molecular Properties

Compound Name3-aminophenanthrene-9,10-dione
PubChem CID10582477
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-aminophenanthrene-9,10-dione
SMILESNc1ccc2c(c1)-c1ccccc1C(=O)C2=O
InChIInChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,15H2
InChIKeyUYLSKNZAXKMXKJ-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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Frequently Asked Questions

What is the IUPAC name of 3-aminophenanthrene-9,10-dione?
The IUPAC name of 3-aminophenanthrene-9,10-dione (CID 10582477) is 3-aminophenanthrene-9,10-dione.
What is the SMILES notation for 3-aminophenanthrene-9,10-dione?
The canonical SMILES for 3-aminophenanthrene-9,10-dione is Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O.
What is the InChIKey of 3-aminophenanthrene-9,10-dione?
The InChIKey is UYLSKNZAXKMXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H,15H2.
What are the key properties of 3-aminophenanthrene-9,10-dione?
3-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 3-aminophenanthrene-9,10-dione is sourced from PubChem (CID 10582477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).