6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid

C14H17NO3 — CID 22906002

IUPAC6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17NO3/c16-13(7-3-4-8-14(17)18)15-10-9-11-5-1-2-6-12(11)15/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeySWUDIEPQCRLCOC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.22
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid

6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid (PubChem CID 22906002) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
PubChem CID22906002
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17NO3/c16-13(7-3-4-8-14(17)18)15-10-9-11-5-1-2-6-12(11)15/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeySWUDIEPQCRLCOC-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.22
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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Related Compounds

1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
CID 171647835
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1,1,3,3-tetramethylguanidine
CID 111811004
3-phenylpropyl 5-(2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 4923773

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid (CID 22906002) is 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid is O=C(O)CCCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid?
The InChIKey is SWUDIEPQCRLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(7-3-4-8-14(17)18)15-10-9-11-5-1-2-6-12(11)15/h1-2,5-6H,3-4,7-10H2,(H,17,18).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid?
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid is sourced from PubChem (CID 22906002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).