2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone

C14H15NO — CID 63553709

IUPAC2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CC3CC3)c2c1
InChIInChI=1S/C14H15NO/c1-9-2-5-13-11(6-9)12(8-15-13)14(16)7-10-3-4-10/h2,5-6,8,10,15H,3-4,7H2,1H3
InChIKeySHEKFJKAUYYWGO-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.46
Rot. Bonds3

About 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone

2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone (PubChem CID 63553709) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
PubChem CID63553709
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CC3CC3)c2c1
InChIInChI=1S/C14H15NO/c1-9-2-5-13-11(6-9)12(8-15-13)14(16)7-10-3-4-10/h2,5-6,8,10,15H,3-4,7H2,1H3
InChIKeySHEKFJKAUYYWGO-UHFFFAOYSA-N
XLogP3.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
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
1-(5-methyl-1H-indol-3-yl)-3-piperidin-1-ium-4-ylpropan-1-one chloride
CID 159675036
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
CID 55220154

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone (CID 63553709) is 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone is Cc1ccc2[nH]cc(C(=O)CC3CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is SHEKFJKAUYYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-2-5-13-11(6-9)12(8-15-13)14(16)7-10-3-4-10/h2,5-6,8,10,15H,3-4,7H2,1H3.
What are the key properties of 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone?
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 63553709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).