3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid

C18H25NO2 — CID 117118531

IUPAC3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
SMILESCC(Cc1cccc2c1N(C1CCCCC1)CC2)C(=O)O
InChIInChI=1S/C18H25NO2/c1-13(18(20)21)12-15-7-5-6-14-10-11-19(17(14)15)16-8-3-2-4-9-16/h5-7,13,16H,2-4,8-12H2,1H3,(H,20,21)
InChIKeyUBROYMADXZXKRA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.64
Rot. Bonds4

About 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid

3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid (PubChem CID 117118531) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
PubChem CID117118531
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
SMILESCC(Cc1cccc2c1N(C1CCCCC1)CC2)C(=O)O
InChIInChI=1S/C18H25NO2/c1-13(18(20)21)12-15-7-5-6-14-10-11-19(17(14)15)16-8-3-2-4-9-16/h5-7,13,16H,2-4,8-12H2,1H3,(H,20,21)
InChIKeyUBROYMADXZXKRA-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid (CID 117118531) is 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid is CC(Cc1cccc2c1N(C1CCCCC1)CC2)C(=O)O.
What is the InChIKey of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid?
The InChIKey is UBROYMADXZXKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(18(20)21)12-15-7-5-6-14-10-11-19(17(14)15)16-8-3-2-4-9-16/h5-7,13,16H,2-4,8-12H2,1H3,(H,20,21).
What are the key properties of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid?
3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117118531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).