2-(aminomethyl)anthracene-9,10-dione

C15H11NO2 — CID 19987802

IUPAC2-(aminomethyl)anthracene-9,10-dione
SMILESNCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2
InChIKeyHTBVSSIRTUHJQP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.92
Rot. Bonds1

About 2-(aminomethyl)anthracene-9,10-dione

2-(aminomethyl)anthracene-9,10-dione (PubChem CID 19987802) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(aminomethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(aminomethyl)anthracene-9,10-dione
PubChem CID19987802
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(aminomethyl)anthracene-9,10-dione
SMILESNCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2
InChIKeyHTBVSSIRTUHJQP-UHFFFAOYSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
Anthracene-2-carboxylic acid hydroxyamide
CID 20227315
Phenanthrene-2-carboxylic acid hydroxyamide
CID 20227317
Phenanthrene-3-carboxylic acid hydroxyamide
CID 44387129
Anthracene-1-carboxylic acid amide
CID 827252
3-Aminophenalen-1-one
CID 2794423
Aminomethylnaphthoquinone
CID 22117154
2-Naphthamide, 5,6,7,8-tetrahydro-
CID 25958
9,10-Dihydro-phenanthrene-3-carboxylic acid hydroxyamide
CID 44387130
(E)-N-benzyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)but-2-enamide
CID 71720680
Phenyl(1,2,3,4-tetrahydro-7-isoquinolinyl)methanone
CID 10492525

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)anthracene-9,10-dione?
The IUPAC name of 2-(aminomethyl)anthracene-9,10-dione (CID 19987802) is 2-(aminomethyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(aminomethyl)anthracene-9,10-dione?
The canonical SMILES for 2-(aminomethyl)anthracene-9,10-dione is NCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(aminomethyl)anthracene-9,10-dione?
The InChIKey is HTBVSSIRTUHJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2.
What are the key properties of 2-(aminomethyl)anthracene-9,10-dione?
2-(aminomethyl)anthracene-9,10-dione has a molecular weight of 237.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)anthracene-9,10-dione is sourced from PubChem (CID 19987802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).