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

C18H23NO — CID 114457307

IUPAC2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H23NO/c1-13-18(15-10-6-7-11-16(15)19-13)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12H2,1H3
InChIKeyPGJSNMZWHOAWMP-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.02
Rot. Bonds3

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

2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 114457307) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID114457307
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H23NO/c1-13-18(15-10-6-7-11-16(15)19-13)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12H2,1H3
InChIKeyPGJSNMZWHOAWMP-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

cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
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CID 920121
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
3-cyclohexyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17067758
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7381071
1-(2-methyl-1H-indol-3-yl)pentan-1-one
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CID 82305589

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone (CID 114457307) is 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is PGJSNMZWHOAWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-18(15-10-6-7-11-16(15)19-13)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12H2,1H3.
What are the key properties of 2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone?
2-cycloheptyl-1-(2-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-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 114457307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).