1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C14H11NO4 — CID 43196856

IUPAC1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccoc1
InChIInChI=1S/C14H11NO4/c16-13(10-5-6-19-8-10)15-11-4-2-1-3-9(11)7-12(15)14(17)18/h1-6,8,12H,7H2,(H,17,18)
InChIKeyKQCUJCHJXYIDJT-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.94
Rot. Bonds2

About 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43196856) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43196856
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccoc1
InChIInChI=1S/C14H11NO4/c16-13(10-5-6-19-8-10)15-11-4-2-1-3-9(11)7-12(15)14(17)18/h1-6,8,12H,7H2,(H,17,18)
InChIKeyKQCUJCHJXYIDJT-UHFFFAOYSA-N
XLogP1.94
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 43196856) is 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is KQCUJCHJXYIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13(10-5-6-19-8-10)15-11-4-2-1-3-9(11)7-12(15)14(17)18/h1-6,8,12H,7H2,(H,17,18).
What are the key properties of 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43196856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).