1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one

C14H19NO — CID 71107498

IUPAC1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCCC(=O)N1CC(CC)c2ccccc21
InChIInChI=1S/C14H19NO/c1-3-7-14(16)15-10-11(4-2)12-8-5-6-9-13(12)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZYRLFWSXYONJAG-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one

1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 71107498) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID71107498
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCCC(=O)N1CC(CC)c2ccccc21
InChIInChI=1S/C14H19NO/c1-3-7-14(16)15-10-11(4-2)12-8-5-6-9-13(12)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZYRLFWSXYONJAG-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one (CID 71107498) is 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one is CCCC(=O)N1CC(CC)c2ccccc21.
What is the InChIKey of 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is ZYRLFWSXYONJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-7-14(16)15-10-11(4-2)12-8-5-6-9-13(12)15/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one?
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 71107498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).