5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione

C18H17NO2 — CID 24764502

IUPAC5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyDGOKKNPUISUUGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.80
Rot. Bonds1

About 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione

5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (PubChem CID 24764502) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
PubChem CID24764502
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyDGOKKNPUISUUGY-UHFFFAOYSA-N
XLogP3.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 11128828
5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826109
7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66637000
5(3-Phenylpropyl)-5,7,8-tetrahydroindeno[1,2-b]indol-9,10-dione
CID 24204512
5-benzyl-7-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 406584
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66636984
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826110
2-[(1-Ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione
CID 848081
5-Propan-2-yl-7,8-dihydroindeno[1,2-b]indole-6,9,10-trione
CID 73353970
7-phenyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 101913604
8,8-Dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
CID 118719585
5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826111

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The IUPAC name of 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (CID 24764502) is 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2.
What is the InChIKey of 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The InChIKey is DGOKKNPUISUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione has a molecular weight of 279.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 24764502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).