1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone

C22H28N2O — CID 110655143

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h6-8,11,14,19H,3-5,9-10,12-13,15H2,1-2H3
InChIKeyRVUDGHVRPZKEGE-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.86
Rot. Bonds4

About 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 110655143) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
PubChem CID110655143
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h6-8,11,14,19H,3-5,9-10,12-13,15H2,1-2H3
InChIKeyRVUDGHVRPZKEGE-UHFFFAOYSA-N
XLogP4.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone (CID 110655143) is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone is Cc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RVUDGHVRPZKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h6-8,11,14,19H,3-5,9-10,12-13,15H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone?
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 336.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110655143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).