2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione

C17H11NO2 — CID 143309594

IUPAC2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione
SMILESCC1=C=CC=C=C(N2C(=O)c3ccccc3C2=O)/C=C\1
InChIInChI=1S/C17H11NO2/c1-12-6-2-3-7-13(11-10-12)18-16(19)14-8-4-5-9-15(14)17(18)20/h2-5,8-11H,1H3/b11-10-
InChIKeyKRRBMQUYZPRPNG-KHPPLWFESA-N
MW261.28 g/mol
LogP2.99
Rot. Bonds1

About 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione

2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione (PubChem CID 143309594) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione
PubChem CID143309594
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione
SMILESCC1=C=CC=C=C(N2C(=O)c3ccccc3C2=O)/C=C\1
InChIInChI=1S/C17H11NO2/c1-12-6-2-3-7-13(11-10-12)18-16(19)14-8-4-5-9-15(14)17(18)20/h2-5,8-11H,1H3/b11-10-
InChIKeyKRRBMQUYZPRPNG-KHPPLWFESA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione
CID 118727406
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]isoindole-1,3-dione
CID 168518349
2-[3-(1,3-dioxoisoindol-2-yl)-1,4-dioxonaphthalen-2-yl]isoindole-1,3-dione
CID 13330620
2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
CID 134440531
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
2-[4-(4-methylphenyl)sulfanylphenyl]isoindole-1,3-dione
CID 168518003
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione
CID 19733884
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044

Frequently Asked Questions

What is the IUPAC name of 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione (CID 143309594) is 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione is CC1=C=CC=C=C(N2C(=O)c3ccccc3C2=O)/C=C\1.
What is the InChIKey of 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione?
The InChIKey is KRRBMQUYZPRPNG-KHPPLWFESA-N. The full InChI is InChI=1S/C17H11NO2/c1-12-6-2-3-7-13(11-10-12)18-16(19)14-8-4-5-9-15(14)17(18)20/h2-5,8-11H,1H3/b11-10-.
What are the key properties of 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione?
2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione has a molecular weight of 261.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 143309594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).