1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one

C15H19NO — CID 142120927

IUPAC1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one
SMILESC=C(C)CC(=O)N1CC(CC)c2ccccc21
InChIInChI=1S/C15H19NO/c1-4-12-10-16(15(17)9-11(2)3)14-8-6-5-7-13(12)14/h5-8,12H,2,4,9-10H2,1,3H3
InChIKeyUVMDSIFPJGSULS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds3

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

1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one (PubChem CID 142120927) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one
PubChem CID142120927
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one
SMILESC=C(C)CC(=O)N1CC(CC)c2ccccc21
InChIInChI=1S/C15H19NO/c1-4-12-10-16(15(17)9-11(2)3)14-8-6-5-7-13(12)14/h5-8,12H,2,4,9-10H2,1,3H3
InChIKeyUVMDSIFPJGSULS-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
3-ethyl-2,3-dihydroindole-1-carbonyl chloride
CID 45081952
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
CID 143074172
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 122202357
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one?
The IUPAC name of 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one (CID 142120927) is 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one.
What is the SMILES notation for 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one?
The canonical SMILES for 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one is C=C(C)CC(=O)N1CC(CC)c2ccccc21.
What is the InChIKey of 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one?
The InChIKey is UVMDSIFPJGSULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-12-10-16(15(17)9-11(2)3)14-8-6-5-7-13(12)14/h5-8,12H,2,4,9-10H2,1,3H3.
What are the key properties of 1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one?
1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.49, 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)-3-methylbut-3-en-1-one is sourced from PubChem (CID 142120927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).