2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione

C17H11NO2 — CID 101071135

IUPAC2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione
SMILESO=C1c2ccc3ccccc3c2C(=O)N1C1C=CC=C1
InChIInChI=1S/C17H11NO2/c19-16-14-10-9-11-5-1-4-8-13(11)15(14)17(20)18(16)12-6-2-3-7-12/h1-10,12H
InChIKeyZYUPRWFSTRMPPK-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.93
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione

2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione (PubChem CID 101071135) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione
PubChem CID101071135
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione
SMILESO=C1c2ccc3ccccc3c2C(=O)N1C1C=CC=C1
InChIInChI=1S/C17H11NO2/c19-16-14-10-9-11-5-1-4-8-13(11)15(14)17(20)18(16)12-6-2-3-7-12/h1-10,12H
InChIKeyZYUPRWFSTRMPPK-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
methyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563339
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
benzo[c]fluoren-7-one
CID 22413
propyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563331
N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 101405797
2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide
CID 142676185
5-amino-2-(1,3-dioxobenzo[e]isoindol-2-yl)-5-oxopentanoic acid
CID 21250930
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
CID 110448726

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione (CID 101071135) is 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione is O=C1c2ccc3ccccc3c2C(=O)N1C1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione?
The InChIKey is ZYUPRWFSTRMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-16-14-10-9-11-5-1-4-8-13(11)15(14)17(20)18(16)12-6-2-3-7-12/h1-10,12H.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione?
2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione has a molecular weight of 261.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 101071135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).