naphtho[2,1-e]isoindole-1,3-dione

C16H9NO2 — CID 87830454

IUPACnaphtho[2,1-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyPIXICFMFSJMSJM-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.88
Rot. Bonds

About naphtho[2,1-e]isoindole-1,3-dione

naphtho[2,1-e]isoindole-1,3-dione (PubChem CID 87830454) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is naphtho[2,1-e]isoindole-1,3-dione.

Molecular Properties

Compound Namenaphtho[2,1-e]isoindole-1,3-dione
PubChem CID87830454
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Namenaphtho[2,1-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19)
InChIKeyPIXICFMFSJMSJM-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554
5-methylbenzo[e]isoindole-1,3-dione
CID 132606674
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
chrysene;iron
CID 157379031
4-methoxybenzo[f]isoindole-1,3-dione
CID 11775900
ethene;picene
CID 175286520
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione
CID 54282373
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
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
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-e]isoindole-1,3-dione?
The IUPAC name of naphtho[2,1-e]isoindole-1,3-dione (CID 87830454) is naphtho[2,1-e]isoindole-1,3-dione.
What is the SMILES notation for naphtho[2,1-e]isoindole-1,3-dione?
The canonical SMILES for naphtho[2,1-e]isoindole-1,3-dione is O=C1NC(=O)c2c1ccc1c2ccc2ccccc21.
What is the InChIKey of naphtho[2,1-e]isoindole-1,3-dione?
The InChIKey is PIXICFMFSJMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16(19)17-15/h1-8H,(H,17,18,19).
What are the key properties of naphtho[2,1-e]isoindole-1,3-dione?
naphtho[2,1-e]isoindole-1,3-dione has a molecular weight of 247.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-e]isoindole-1,3-dione is sourced from PubChem (CID 87830454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).