1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C17H21NO — CID 106655553

IUPAC1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)C1=CCCCCC1
InChIInChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)11-14-12-18-16-10-6-5-9-15(14)16/h5-7,9-10,14,18H,1-4,8,11-12H2
InChIKeyANKQJCBHVFNFEI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.05
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 106655553) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID106655553
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)C1=CCCCCC1
InChIInChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)11-14-12-18-16-10-6-5-9-15(14)16/h5-7,9-10,14,18H,1-4,8,11-12H2
InChIKeyANKQJCBHVFNFEI-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107361507
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593567
1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
CID 106655260
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
CID 116593479
1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593523
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80572891

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 106655553) is 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(CC1CNc2ccccc21)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is ANKQJCBHVFNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(13-7-3-1-2-4-8-13)11-14-12-18-16-10-6-5-9-15(14)16/h5-7,9-10,14,18H,1-4,8,11-12H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 106655553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).