2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid

C18H15NO4 — CID 66636870

IUPAC2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid
SMILESCC(C(=O)O)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H15NO4/c1-9(18(22)23)19-12-7-4-8-13(20)14(12)15-16(19)10-5-2-3-6-11(10)17(15)21/h2-3,5-6,9H,4,7-8H2,1H3,(H,22,23)
InChIKeyBABVRXOPKDLQNT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.86
Rot. Bonds2

About 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid

2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid (PubChem CID 66636870) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid
PubChem CID66636870
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid
SMILESCC(C(=O)O)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H15NO4/c1-9(18(22)23)19-12-7-4-8-13(20)14(12)15-16(19)10-5-2-3-6-11(10)17(15)21/h2-3,5-6,9H,4,7-8H2,1H3,(H,22,23)
InChIKeyBABVRXOPKDLQNT-UHFFFAOYSA-N
XLogP2.86
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid?
The IUPAC name of 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid (CID 66636870) is 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid.
What is the SMILES notation for 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid?
The canonical SMILES for 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid is CC(C(=O)O)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2.
What is the InChIKey of 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid?
The InChIKey is BABVRXOPKDLQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-9(18(22)23)19-12-7-4-8-13(20)14(12)15-16(19)10-5-2-3-6-11(10)17(15)21/h2-3,5-6,9H,4,7-8H2,1H3,(H,22,23).
What are the key properties of 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid?
2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dioxo-7,8-dihydro-6H-indeno[1,2-b]indol-5-yl)propanoic acid is sourced from PubChem (CID 66636870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).