1-aminoanthracene-9,10-dione;dichloromethane

C15H11Cl2NO2 — CID 160969534

IUPAC1-aminoanthracene-9,10-dione;dichloromethane
SMILESClCCl.Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.CH2Cl2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;2-1-3/h1-7H,15H2;1H2
InChIKeySYBNSBALOVTERL-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.47
Rot. Bonds

About 1-aminoanthracene-9,10-dione;dichloromethane

1-aminoanthracene-9,10-dione;dichloromethane (PubChem CID 160969534) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-aminoanthracene-9,10-dione;dichloromethane.

Molecular Properties

Compound Name1-aminoanthracene-9,10-dione;dichloromethane
PubChem CID160969534
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name1-aminoanthracene-9,10-dione;dichloromethane
SMILESClCCl.Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.CH2Cl2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;2-1-3/h1-7H,15H2;1H2
InChIKeySYBNSBALOVTERL-UHFFFAOYSA-N
XLogP3.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-aminoanthracene-9,10-dione;molecular nitrogen
CID 67788391
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
1-amino-5-phenylanthracene-9,10-dione
CID 154123056
1-amino-7-methylsulfanylanthracene-9,10-dione
CID 154170210
5-amino-9,10-dioxoanthracene-2-sulfonic acid
CID 3015518
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-amino-5-sulfanylanthracene-9,10-dione;1,2,3,4-tetrahydronaphthalene
CID 70615473
8-amino-9,10-dioxoanthracene-1-carboxylic acid
CID 10683232
5-aminoisoquinoline-1,3,4-trione
CID 163708538
CID 158452185
CID 158452185
1-amino-5-(2,5-dichlorophenyl)sulfanylanthracene-9,10-dione
CID 22759183
4-amino-2-(chloromethylsulfonyl)isoindole-1,3-dione
CID 63665376

Frequently Asked Questions

What is the IUPAC name of 1-aminoanthracene-9,10-dione;dichloromethane?
The IUPAC name of 1-aminoanthracene-9,10-dione;dichloromethane (CID 160969534) is 1-aminoanthracene-9,10-dione;dichloromethane.
What is the SMILES notation for 1-aminoanthracene-9,10-dione;dichloromethane?
The canonical SMILES for 1-aminoanthracene-9,10-dione;dichloromethane is ClCCl.Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-aminoanthracene-9,10-dione;dichloromethane?
The InChIKey is SYBNSBALOVTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.CH2Cl2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;2-1-3/h1-7H,15H2;1H2.
What are the key properties of 1-aminoanthracene-9,10-dione;dichloromethane?
1-aminoanthracene-9,10-dione;dichloromethane has a molecular weight of 308.16 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoanthracene-9,10-dione;dichloromethane is sourced from PubChem (CID 160969534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).