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

C19H19NO2 — CID 66636984

IUPAC7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC1CC(=O)c2c3c(n(C(C)C)c2C1)-c1ccccc1C3=O
InChIInChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKLZHCUVZHUIBOR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds1

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

7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (PubChem CID 66636984) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
PubChem CID66636984
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC1CC(=O)c2c3c(n(C(C)C)c2C1)-c1ccccc1C3=O
InChIInChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKLZHCUVZHUIBOR-UHFFFAOYSA-N
XLogP4.05
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The IUPAC name of 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (CID 66636984) is 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is CC1CC(=O)c2c3c(n(C(C)C)c2C1)-c1ccccc1C3=O.
What is the InChIKey of 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The InChIKey is KLZHCUVZHUIBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione has a molecular weight of 293.37 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 66636984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).