1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C15H13NO4 — CID 114818785

IUPAC1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(C(=O)N2c3ccccc3CC2C(=O)O)co1
InChIInChI=1S/C15H13NO4/c1-9-6-11(8-20-9)14(17)16-12-5-3-2-4-10(12)7-13(16)15(18)19/h2-6,8,13H,7H2,1H3,(H,18,19)
InChIKeyDETUDLUBBDARKR-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.24
Rot. Bonds2

About 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 114818785) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID114818785
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1cc(C(=O)N2c3ccccc3CC2C(=O)O)co1
InChIInChI=1S/C15H13NO4/c1-9-6-11(8-20-9)14(17)16-12-5-3-2-4-10(12)7-13(16)15(18)19/h2-6,8,13H,7H2,1H3,(H,18,19)
InChIKeyDETUDLUBBDARKR-UHFFFAOYSA-N
XLogP2.24
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 66126249
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 114818785) is 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is Cc1cc(C(=O)N2c3ccccc3CC2C(=O)O)co1.
What is the InChIKey of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DETUDLUBBDARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-6-11(8-20-9)14(17)16-12-5-3-2-4-10(12)7-13(16)15(18)19/h2-6,8,13H,7H2,1H3,(H,18,19).
What are the key properties of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 114818785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).