4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid

C12H7NO4 — CID 10443783

IUPAC4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2[nH]c3ccccc3c2o1
InChIInChI=1S/C12H7NO4/c14-8-5-9(12(15)16)17-11-6-3-1-2-4-7(6)13-10(8)11/h1-5,13H,(H,15,16)
InChIKeyUPXAUSVLVNTSMU-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.97
Rot. Bonds1

About 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid

4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid (PubChem CID 10443783) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid
PubChem CID10443783
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2[nH]c3ccccc3c2o1
InChIInChI=1S/C12H7NO4/c14-8-5-9(12(15)16)17-11-6-3-1-2-4-7(6)13-10(8)11/h1-5,13H,(H,15,16)
InChIKeyUPXAUSVLVNTSMU-UHFFFAOYSA-N
XLogP1.97
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12724106
9H-carbazole;carbonic acid
CID 67577328
N,N-diethyl-4H-furo[3,2-b]indole-2-carboxamide
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8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 82393897
7-bromo-10H-[1]benzofuro[3,2-b]indole
CID 162350952
3-hydroxy-9H-carbazole-1-carboxylic acid
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8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid (CID 10443783) is 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid is O=C(O)c1cc(=O)c2[nH]c3ccccc3c2o1.
What is the InChIKey of 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid?
The InChIKey is UPXAUSVLVNTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-8-5-9(12(15)16)17-11-6-3-1-2-4-7(6)13-10(8)11/h1-5,13H,(H,15,16).
What are the key properties of 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid?
4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid has a molecular weight of 229.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 10443783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).