2-(2H-pyran-4-yl)indole-1-carboxylic acid

C14H11NO3 — CID 118607870

IUPAC2-(2H-pyran-4-yl)indole-1-carboxylic acid
SMILESO=C(O)n1c(C2=CCOC=C2)cc2ccccc21
InChIInChI=1S/C14H11NO3/c16-14(17)15-12-4-2-1-3-11(12)9-13(15)10-5-7-18-8-6-10/h1-7,9H,8H2,(H,16,17)
InChIKeyYXXYTMKGCYJYGP-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.09
Rot. Bonds1

About 2-(2H-pyran-4-yl)indole-1-carboxylic acid

2-(2H-pyran-4-yl)indole-1-carboxylic acid (PubChem CID 118607870) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2H-pyran-4-yl)indole-1-carboxylic acid.

Molecular Properties

Compound Name2-(2H-pyran-4-yl)indole-1-carboxylic acid
PubChem CID118607870
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(2H-pyran-4-yl)indole-1-carboxylic acid
SMILESO=C(O)n1c(C2=CCOC=C2)cc2ccccc21
InChIInChI=1S/C14H11NO3/c16-14(17)15-12-4-2-1-3-11(12)9-13(15)10-5-7-18-8-6-10/h1-7,9H,8H2,(H,16,17)
InChIKeyYXXYTMKGCYJYGP-UHFFFAOYSA-N
XLogP3.09
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[5-bromo-1-(oxan-2-yl)indazol-3-yl]indole-1-carboxylic acid
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CID 146166145
5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid
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1-(2-oxoquinoline-1-carbonyl)quinolin-2-one
CID 57282891
2-[(4-aminophenoxy)methyl]indole-1-carboxylic acid
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1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-4-yl)indole-1-carboxylic acid?
The IUPAC name of 2-(2H-pyran-4-yl)indole-1-carboxylic acid (CID 118607870) is 2-(2H-pyran-4-yl)indole-1-carboxylic acid.
What is the SMILES notation for 2-(2H-pyran-4-yl)indole-1-carboxylic acid?
The canonical SMILES for 2-(2H-pyran-4-yl)indole-1-carboxylic acid is O=C(O)n1c(C2=CCOC=C2)cc2ccccc21.
What is the InChIKey of 2-(2H-pyran-4-yl)indole-1-carboxylic acid?
The InChIKey is YXXYTMKGCYJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)15-12-4-2-1-3-11(12)9-13(15)10-5-7-18-8-6-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-(2H-pyran-4-yl)indole-1-carboxylic acid?
2-(2H-pyran-4-yl)indole-1-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-4-yl)indole-1-carboxylic acid is sourced from PubChem (CID 118607870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).