3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid

C30H32N2O4 — CID 68560921

IUPAC3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C15H17NO2.C15H15NO2/c2*17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18);4,6-9,16H,1-3,5H2,(H,17,18)
InChIKeyLYUFCSOWQGZVMT-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.74
Rot. Bonds4

About 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid

3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid (PubChem CID 68560921) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
PubChem CID68560921
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C15H17NO2.C15H15NO2/c2*17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18);4,6-9,16H,1-3,5H2,(H,17,18)
InChIKeyLYUFCSOWQGZVMT-UHFFFAOYSA-N
XLogP7.74
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The IUPAC name of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid (CID 68560921) is 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1.
What is the InChIKey of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The InChIKey is LYUFCSOWQGZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C15H15NO2/c2*17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18);4,6-9,16H,1-3,5H2,(H,17,18).
What are the key properties of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid has a molecular weight of 484.60 g/mol, XLogP of 7.74, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 68560921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).