1-(1-ethylindol-2-yl)propan-2-one

C13H15NO — CID 115107033

IUPAC1-(1-ethylindol-2-yl)propan-2-one
SMILESCCn1c(CC(C)=O)cc2ccccc21
InChIInChI=1S/C13H15NO/c1-3-14-12(8-10(2)15)9-11-6-4-5-7-13(11)14/h4-7,9H,3,8H2,1-2H3
InChIKeyWADXLAGVOIZZLE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.79
Rot. Bonds3

About 1-(1-ethylindol-2-yl)propan-2-one

1-(1-ethylindol-2-yl)propan-2-one (PubChem CID 115107033) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-ethylindol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylindol-2-yl)propan-2-one
PubChem CID115107033
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1-ethylindol-2-yl)propan-2-one
SMILESCCn1c(CC(C)=O)cc2ccccc21
InChIInChI=1S/C13H15NO/c1-3-14-12(8-10(2)15)9-11-6-4-5-7-13(11)14/h4-7,9H,3,8H2,1-2H3
InChIKeyWADXLAGVOIZZLE-UHFFFAOYSA-N
XLogP2.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylindol-2-yl)acetamide
CID 67469018
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
ethane;methyl 3-(1-ethylindol-2-yl)propanoate
CID 91236893
2-(ethoxymethyl)-1-ethylindole
CID 117173973
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
1-ethylindole-2-carbohydrazide
CID 166595239
1-(1-ethyl-2-methylindol-7-yl)propan-2-one
CID 117205111
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-(2-propylindol-1-yl)acetic acid
CID 139491348
2-bromo-1-ethylindole
CID 20753566
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-2-yl)propan-2-one?
The IUPAC name of 1-(1-ethylindol-2-yl)propan-2-one (CID 115107033) is 1-(1-ethylindol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethylindol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-ethylindol-2-yl)propan-2-one is CCn1c(CC(C)=O)cc2ccccc21.
What is the InChIKey of 1-(1-ethylindol-2-yl)propan-2-one?
The InChIKey is WADXLAGVOIZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-14-12(8-10(2)15)9-11-6-4-5-7-13(11)14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylindol-2-yl)propan-2-one?
1-(1-ethylindol-2-yl)propan-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-2-yl)propan-2-one is sourced from PubChem (CID 115107033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).