5-methylacenaphthylene-1,2-dione

C13H8O2 — CID 13004585

IUPAC5-methylacenaphthylene-1,2-dione
SMILESCc1ccc2c3c(cccc13)C(=O)C2=O
InChIInChI=1S/C13H8O2/c1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13(10)15/h2-6H,1H3
InChIKeyKWUVUDIJCQKTGM-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.53
Rot. Bonds

About 5-methylacenaphthylene-1,2-dione

5-methylacenaphthylene-1,2-dione (PubChem CID 13004585) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methylacenaphthylene-1,2-dione.

Molecular Properties

Compound Name5-methylacenaphthylene-1,2-dione
PubChem CID13004585
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Name5-methylacenaphthylene-1,2-dione
SMILESCc1ccc2c3c(cccc13)C(=O)C2=O
InChIInChI=1S/C13H8O2/c1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13(10)15/h2-6H,1H3
InChIKeyKWUVUDIJCQKTGM-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylacenaphthylene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
4-methylfluoranthene-8-carbaldehyde
CID 142154566
5-(4-methylphenoxy)acenaphthylene-1,2-dione
CID 54769993
3,7,9-trimethylfluoranthene
CID 123365780
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
CID 24939025
1-aminoethenethiol;bis(3-methylfluoranthene);thiohydroxylamine
CID 143570068
5-methylacenaphthylene-1,2-dione;6-methyl-2H-acenaphthylen-1-one;4-methyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 158945821
ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene
CID 142875592
3,4,9-trimethylperylene
CID 59598979
5-[4-[4-(1,2-dioxoacenaphthylen-5-yl)oxyphenyl]phenoxy]acenaphthylene-1,2-dione
CID 3090033
15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 139667404

Frequently Asked Questions

What is the IUPAC name of 5-methylacenaphthylene-1,2-dione?
The IUPAC name of 5-methylacenaphthylene-1,2-dione (CID 13004585) is 5-methylacenaphthylene-1,2-dione.
What is the SMILES notation for 5-methylacenaphthylene-1,2-dione?
The canonical SMILES for 5-methylacenaphthylene-1,2-dione is Cc1ccc2c3c(cccc13)C(=O)C2=O.
What is the InChIKey of 5-methylacenaphthylene-1,2-dione?
The InChIKey is KWUVUDIJCQKTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c1-7-5-6-10-11-8(7)3-2-4-9(11)12(14)13(10)15/h2-6H,1H3.
What are the key properties of 5-methylacenaphthylene-1,2-dione?
5-methylacenaphthylene-1,2-dione has a molecular weight of 196.21 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylacenaphthylene-1,2-dione is sourced from PubChem (CID 13004585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).