1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid

C15H19NO3 — CID 80566587

IUPAC1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCC1CCCO1
InChIInChI=1S/C15H19NO3/c17-15(18)14-10-11-4-1-2-6-13(11)16(14)8-7-12-5-3-9-19-12/h1-2,4,6,12,14H,3,5,7-10H2,(H,17,18)
InChIKeyQXOLXDDYSATXIL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566587) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566587
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCC1CCCO1
InChIInChI=1S/C15H19NO3/c17-15(18)14-10-11-4-1-2-6-13(11)16(14)8-7-12-5-3-9-19-12/h1-2,4,6,12,14H,3,5,7-10H2,(H,17,18)
InChIKeyQXOLXDDYSATXIL-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 43172331
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
2-(oxan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875186
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
CID 80563806
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
(3R)-2-[2-[(2S)-oxan-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124609302
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid (CID 80566587) is 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QXOLXDDYSATXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)14-10-11-4-1-2-6-13(11)16(14)8-7-12-5-3-9-19-12/h1-2,4,6,12,14H,3,5,7-10H2,(H,17,18).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).