2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione

C19H14N2O4 — CID 159383507

IUPAC2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.C5H5NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16;1-6-4(7)2-3-5(6)8/h1-7H,15H2;2-3H,1H3
InChIKeyLLEYFOLTCKCGPD-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.59
Rot. Bonds

About 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione

2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione (PubChem CID 159383507) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
PubChem CID159383507
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2.C5H5NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16;1-6-4(7)2-3-5(6)8/h1-7H,15H2;2-3H,1H3
InChIKeyLLEYFOLTCKCGPD-UHFFFAOYSA-N
XLogP1.59
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227
6-amino-2,3-bis(methylsulfanyl)naphthalene-1,4-dione
CID 23319813
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
1-methylpyrrole-2,5-dione;toluene
CID 159040601
2-amino-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
CID 71457060
2-(4-aminophenyl)-10-ethylideneanthracen-9-one
CID 121306780
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
3-amino-1-methylanthracene-9,10-dione
CID 15716485
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
3-amino-6-methylphenanthrene-9,10-dione;ethane
CID 142278417
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881

Frequently Asked Questions

What is the IUPAC name of 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione?
The IUPAC name of 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione (CID 159383507) is 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione.
What is the SMILES notation for 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione?
The canonical SMILES for 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione is CN1C(=O)C=CC1=O.Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione?
The InChIKey is LLEYFOLTCKCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.C5H5NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16;1-6-4(7)2-3-5(6)8/h1-7H,15H2;2-3H,1H3.
What are the key properties of 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione?
2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione has a molecular weight of 334.33 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 159383507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).