1-pentanoyl-2,3-dihydroindole-5-carboxylic acid

C14H17NO3 — CID 43217694

IUPAC1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
SMILESCCCCC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO3/c1-2-3-4-13(16)15-8-7-10-9-11(14(17)18)5-6-12(10)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyVDHCFYJUISCAIC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.46
Rot. Bonds4

About 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid

1-pentanoyl-2,3-dihydroindole-5-carboxylic acid (PubChem CID 43217694) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
PubChem CID43217694
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
SMILESCCCCC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO3/c1-2-3-4-13(16)15-8-7-10-9-11(14(17)18)5-6-12(10)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyVDHCFYJUISCAIC-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[5-(2-bromo-2-methylpropanoyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82258935
2-bromo-3-methyl-1-(1-pentanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82258864
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82259566
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
2-bromo-1-(1-butanoyl-2,3-dihydroindol-5-yl)pentan-1-one
CID 82258792
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599

Frequently Asked Questions

What is the IUPAC name of 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid (CID 43217694) is 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid is CCCCC(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is VDHCFYJUISCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-3-4-13(16)15-8-7-10-9-11(14(17)18)5-6-12(10)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid?
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanoyl-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 43217694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).