2-(indol-1-ylmethyl)furan-3-carboxylic acid

C14H11NO3 — CID 43477625

IUPAC2-(indol-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1ccc2ccccc21
InChIInChI=1S/C14H11NO3/c16-14(17)11-6-8-18-13(11)9-15-7-5-10-3-1-2-4-12(10)15/h1-8H,9H2,(H,16,17)
InChIKeyZZJJKWKLSIABNK-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.98
Rot. Bonds3

About 2-(indol-1-ylmethyl)furan-3-carboxylic acid

2-(indol-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 43477625) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(indol-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(indol-1-ylmethyl)furan-3-carboxylic acid
PubChem CID43477625
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(indol-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1ccc2ccccc21
InChIInChI=1S/C14H11NO3/c16-14(17)11-6-8-18-13(11)9-15-7-5-10-3-1-2-4-12(10)15/h1-8H,9H2,(H,16,17)
InChIKeyZZJJKWKLSIABNK-UHFFFAOYSA-N
XLogP2.98
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid
CID 43477614
3-(indol-1-ylmethyl)furan-2-carbohydrazide
CID 63579906
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 43477624
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
2-[(2,7-dioxoazepan-1-yl)methyl]furan-3-carboxylic acid
CID 43477648
potassium 2-indol-1-ylacetate
CID 172851034
2-butylfuran-3-carboxylic acid
CID 10678677
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-(phenylmethoxymethyl)furan-3-carboxylic acid
CID 43477489
(E)-4-indol-1-ylbut-2-enoic acid
CID 62344116
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250

Frequently Asked Questions

What is the IUPAC name of 2-(indol-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(indol-1-ylmethyl)furan-3-carboxylic acid (CID 43477625) is 2-(indol-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(indol-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(indol-1-ylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1Cn1ccc2ccccc21.
What is the InChIKey of 2-(indol-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is ZZJJKWKLSIABNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)11-6-8-18-13(11)9-15-7-5-10-3-1-2-4-12(10)15/h1-8H,9H2,(H,16,17).
What are the key properties of 2-(indol-1-ylmethyl)furan-3-carboxylic acid?
2-(indol-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indol-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 43477625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).