1-(1-ethyl-2-methylindol-7-yl)propan-2-one

C14H17NO — CID 117205111

IUPAC1-(1-ethyl-2-methylindol-7-yl)propan-2-one
SMILESCCn1c(C)cc2cccc(CC(C)=O)c21
InChIInChI=1S/C14H17NO/c1-4-15-10(2)8-12-6-5-7-13(14(12)15)9-11(3)16/h5-8H,4,9H2,1-3H3
InChIKeyCKLKWJCXGQABTE-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-ethyl-2-methylindol-7-yl)propan-2-one

1-(1-ethyl-2-methylindol-7-yl)propan-2-one (PubChem CID 117205111) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylindol-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-2-methylindol-7-yl)propan-2-one
PubChem CID117205111
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1-ethyl-2-methylindol-7-yl)propan-2-one
SMILESCCn1c(C)cc2cccc(CC(C)=O)c21
InChIInChI=1S/C14H17NO/c1-4-15-10(2)8-12-6-5-7-13(14(12)15)9-11(3)16/h5-8H,4,9H2,1-3H3
InChIKeyCKLKWJCXGQABTE-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylindol-7-yl)propan-2-one
CID 115106501
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 118443934
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196706
1-(1-ethyl-3-methylindol-4-yl)propan-2-one
CID 117204377
1-(3-ethyl-2-iodophenyl)propan-2-one
CID 118824514
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylindol-7-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-2-methylindol-7-yl)propan-2-one (CID 117205111) is 1-(1-ethyl-2-methylindol-7-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-2-methylindol-7-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-2-methylindol-7-yl)propan-2-one is CCn1c(C)cc2cccc(CC(C)=O)c21.
What is the InChIKey of 1-(1-ethyl-2-methylindol-7-yl)propan-2-one?
The InChIKey is CKLKWJCXGQABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-15-10(2)8-12-6-5-7-13(14(12)15)9-11(3)16/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methylindol-7-yl)propan-2-one?
1-(1-ethyl-2-methylindol-7-yl)propan-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylindol-7-yl)propan-2-one is sourced from PubChem (CID 117205111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).