1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

C15H13NO4 — CID 102710960

IUPAC1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCc1ccc(CN2C(=O)Cc3ccc(C(=O)O)cc32)o1
InChIInChI=1S/C15H13NO4/c1-9-2-5-12(20-9)8-16-13-6-11(15(18)19)4-3-10(13)7-14(16)17/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyLZIGCOHABUUNHT-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.38
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (PubChem CID 102710960) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
PubChem CID102710960
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCc1ccc(CN2C(=O)Cc3ccc(C(=O)O)cc32)o1
InChIInChI=1S/C15H13NO4/c1-9-2-5-12(20-9)8-16-13-6-11(15(18)19)4-3-10(13)7-14(16)17/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyLZIGCOHABUUNHT-UHFFFAOYSA-N
XLogP2.38
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711009
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711144
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711027
1-[(3-ethylimidazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710890
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711011
1-[(E)-3-chloroprop-2-enyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710959
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
1-[2-(2-methylpropoxy)ethyl]-2-oxo-3H-indole-6-carboxylic acid
CID 106453920
2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
CID 102710944
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (CID 102710960) is 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is Cc1ccc(CN2C(=O)Cc3ccc(C(=O)O)cc32)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The InChIKey is LZIGCOHABUUNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-2-5-12(20-9)8-16-13-6-11(15(18)19)4-3-10(13)7-14(16)17/h2-6H,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is sourced from PubChem (CID 102710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).