2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone

C18H23NO — CID 114457331

IUPAC2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CC3CCCCCC3)c[nH]c2c1
InChIInChI=1S/C18H23NO/c1-13-8-9-15-16(12-19-17(15)10-13)18(20)11-14-6-4-2-3-5-7-14/h8-10,12,14,19H,2-7,11H2,1H3
InChIKeyBWHOINLLLPMTFL-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.02
Rot. Bonds3

About 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone

2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone (PubChem CID 114457331) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
PubChem CID114457331
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CC3CCCCCC3)c[nH]c2c1
InChIInChI=1S/C18H23NO/c1-13-8-9-15-16(12-19-17(15)10-13)18(20)11-14-6-4-2-3-5-7-14/h8-10,12,14,19H,2-7,11H2,1H3
InChIKeyBWHOINLLLPMTFL-UHFFFAOYSA-N
XLogP5.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 2013269
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
(1,1-dioxothian-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 104518071
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone (CID 114457331) is 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone is Cc1ccc2c(C(=O)CC3CCCCCC3)c[nH]c2c1.
What is the InChIKey of 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone?
The InChIKey is BWHOINLLLPMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-9-15-16(12-19-17(15)10-13)18(20)11-14-6-4-2-3-5-7-14/h8-10,12,14,19H,2-7,11H2,1H3.
What are the key properties of 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone?
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 114457331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).