2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone

C17H21NO — CID 43163350

IUPAC2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2[nH]cc(C(=O)CC3CCCCC3)c12
InChIInChI=1S/C17H21NO/c1-12-6-5-9-15-17(12)14(11-18-15)16(19)10-13-7-3-2-4-8-13/h5-6,9,11,13,18H,2-4,7-8,10H2,1H3
InChIKeyRSYVHKSUCSPOCP-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.63
Rot. Bonds3

About 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone

2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone (PubChem CID 43163350) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
PubChem CID43163350
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2[nH]cc(C(=O)CC3CCCCC3)c12
InChIInChI=1S/C17H21NO/c1-12-6-5-9-15-17(12)14(11-18-15)16(19)10-13-7-3-2-4-8-13/h5-6,9,11,13,18H,2-4,7-8,10H2,1H3
InChIKeyRSYVHKSUCSPOCP-UHFFFAOYSA-N
XLogP4.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
(1,1-dioxothian-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 104518069
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 103162576
3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
CID 107918690
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone (CID 43163350) is 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone is Cc1cccc2[nH]cc(C(=O)CC3CCCCC3)c12.
What is the InChIKey of 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone?
The InChIKey is RSYVHKSUCSPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-5-9-15-17(12)14(11-18-15)16(19)10-13-7-3-2-4-8-13/h5-6,9,11,13,18H,2-4,7-8,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone?
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 43163350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).