3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one

C17H21NO — CID 43339260

IUPAC3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,1-3,6-7,10-11H2
InChIKeyJGLOBFPKKZFXRW-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.71
Rot. Bonds4

About 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one

3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one (PubChem CID 43339260) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
PubChem CID43339260
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,1-3,6-7,10-11H2
InChIKeyJGLOBFPKKZFXRW-UHFFFAOYSA-N
XLogP4.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
CID 90983574
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
CID 107918690
3-cyclopentyl-1-(7-nitro-1H-indol-3-yl)propan-1-one
CID 114935585
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
1-[4-(cyclohexylmethoxy)phenyl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 139807213
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
CID 6938363
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989
4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
CID 21394682

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one (CID 43339260) is 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one is O=C(CCC1CCCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is JGLOBFPKKZFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,1-3,6-7,10-11H2.
What are the key properties of 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one?
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 43339260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).