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

C15H13NO4 — CID 43217662

IUPAC1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCc1ccc(C(=O)N2CCc3cc(C(=O)O)ccc32)o1
InChIInChI=1S/C15H13NO4/c1-9-2-5-13(20-9)14(17)16-7-6-10-8-11(15(18)19)3-4-12(10)16/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyFTPSZIDFSRQXJU-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.49
Rot. Bonds2

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

1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 43217662) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID43217662
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCc1ccc(C(=O)N2CCc3cc(C(=O)O)ccc32)o1
InChIInChI=1S/C15H13NO4/c1-9-2-5-13(20-9)14(17)16-7-6-10-8-11(15(18)19)3-4-12(10)16/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyFTPSZIDFSRQXJU-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349830
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 103790198
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 43217662) is 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid is Cc1ccc(C(=O)N2CCc3cc(C(=O)O)ccc32)o1.
What is the InChIKey of 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is FTPSZIDFSRQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-2-5-13(20-9)14(17)16-7-6-10-8-11(15(18)19)3-4-12(10)16/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 43217662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).