cyclopenta[b]naphthalene-1,2,3-trione

C13H6O3 — CID 581122

IUPACcyclopenta[b]naphthalene-1,2,3-trione
SMILESO=c1c(=O)c2cc3ccccc3cc2c1=O
InChIInChI=1S/C13H6O3/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13(11)16/h1-6H
InChIKeyLGJRHILJQNOJAT-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.95
Rot. Bonds

About cyclopenta[b]naphthalene-1,2,3-trione

cyclopenta[b]naphthalene-1,2,3-trione (PubChem CID 581122) has the molecular formula C13H6O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is cyclopenta[b]naphthalene-1,2,3-trione.

Molecular Properties

Compound Namecyclopenta[b]naphthalene-1,2,3-trione
PubChem CID581122
Molecular FormulaC13H6O3
Molecular Weight210.19 g/mol
Exact Mass210.03
IUPAC Namecyclopenta[b]naphthalene-1,2,3-trione
SMILESO=c1c(=O)c2cc3ccccc3cc2c1=O
InChIInChI=1S/C13H6O3/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13(11)16/h1-6H
InChIKeyLGJRHILJQNOJAT-UHFFFAOYSA-N
XLogP0.95
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
CID 12583820
heptacyclo[12.10.0.03,12.05,10.016,23.017,19.020,22]tetracosa-1,3,5,7,9,11,13,15,17(19),20(22),23-undecaene-18,21-dione
CID 140516739
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone
CID 102324557
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
CID 23558962
(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
CID 142105962
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
anthracene;cyclohexa-2,5-diene-1,4-dione
CID 118268436
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;silane
CID 131739126

Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]naphthalene-1,2,3-trione?
The IUPAC name of cyclopenta[b]naphthalene-1,2,3-trione (CID 581122) is cyclopenta[b]naphthalene-1,2,3-trione.
What is the SMILES notation for cyclopenta[b]naphthalene-1,2,3-trione?
The canonical SMILES for cyclopenta[b]naphthalene-1,2,3-trione is O=c1c(=O)c2cc3ccccc3cc2c1=O.
What is the InChIKey of cyclopenta[b]naphthalene-1,2,3-trione?
The InChIKey is LGJRHILJQNOJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6O3/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13(11)16/h1-6H.
What are the key properties of cyclopenta[b]naphthalene-1,2,3-trione?
cyclopenta[b]naphthalene-1,2,3-trione has a molecular weight of 210.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]naphthalene-1,2,3-trione is sourced from PubChem (CID 581122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).