4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid

C20H23NO3 — CID 23539749

IUPAC4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid
SMILESCCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)C1=CCC=C1
InChIInChI=1S/C20H23NO3/c1-2-3-6-14(13-7-4-5-8-13)11-15-12-17(22)18(20(23)24)19-16(15)9-10-21-19/h4,7-10,12,14,21-22H,2-3,5-6,11H2,1H3,(H,23,24)
InChIKeyZINPLLGWMWBZBM-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.81
Rot. Bonds7

About 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid

4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid (PubChem CID 23539749) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid
PubChem CID23539749
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid
SMILESCCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)C1=CCC=C1
InChIInChI=1S/C20H23NO3/c1-2-3-6-14(13-7-4-5-8-13)11-15-12-17(22)18(20(23)24)19-16(15)9-10-21-19/h4,7-10,12,14,21-22H,2-3,5-6,11H2,1H3,(H,23,24)
InChIKeyZINPLLGWMWBZBM-UHFFFAOYSA-N
XLogP4.81
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid?
The IUPAC name of 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid (CID 23539749) is 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid?
The canonical SMILES for 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid is CCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)C1=CCC=C1.
What is the InChIKey of 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid?
The InChIKey is ZINPLLGWMWBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-3-6-14(13-7-4-5-8-13)11-15-12-17(22)18(20(23)24)19-16(15)9-10-21-19/h4,7-10,12,14,21-22H,2-3,5-6,11H2,1H3,(H,23,24).
What are the key properties of 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid?
4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopenta-1,4-dien-1-ylhexyl)-6-hydroxy-1H-indole-7-carboxylic acid is sourced from PubChem (CID 23539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).