7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid

C18H25NO3 — CID 171647835

IUPAC7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
SMILESCC(C)c1ccc2c(c1)N(C(=O)CCCCCC(=O)O)CC2
InChIInChI=1S/C18H25NO3/c1-13(2)15-9-8-14-10-11-19(16(14)12-15)17(20)6-4-3-5-7-18(21)22/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyFCUHAWWLLURDED-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.73
Rot. Bonds7

About 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid

7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid (PubChem CID 171647835) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
PubChem CID171647835
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
SMILESCC(C)c1ccc2c(c1)N(C(=O)CCCCCC(=O)O)CC2
InChIInChI=1S/C18H25NO3/c1-13(2)15-9-8-14-10-11-19(16(14)12-15)17(20)6-4-3-5-7-18(21)22/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyFCUHAWWLLURDED-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid?
The IUPAC name of 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid (CID 171647835) is 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid.
What is the SMILES notation for 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid?
The canonical SMILES for 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid is CC(C)c1ccc2c(c1)N(C(=O)CCCCCC(=O)O)CC2.
What is the InChIKey of 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid?
The InChIKey is FCUHAWWLLURDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)15-9-8-14-10-11-19(16(14)12-15)17(20)6-4-3-5-7-18(21)22/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid?
7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid is sourced from PubChem (CID 171647835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).