1-(1-butyl-2,3-dihydroindol-5-yl)ethanone

C14H19NO — CID 102662303

IUPAC1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
SMILESCCCCN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C14H19NO/c1-3-4-8-15-9-7-13-10-12(11(2)16)5-6-14(13)15/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyHBVQSXNVPLHFCE-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.05
Rot. Bonds4

About 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone

1-(1-butyl-2,3-dihydroindol-5-yl)ethanone (PubChem CID 102662303) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
PubChem CID102662303
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
SMILESCCCCN1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C14H19NO/c1-3-4-8-15-9-7-13-10-12(11(2)16)5-6-14(13)15/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyHBVQSXNVPLHFCE-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662312
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662460
1-(2-pentyl-1,3-dihydroisoindol-5-yl)ethanone
CID 82163868
1-butyl-2,3-dihydroindole
CID 4167209

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone?
The IUPAC name of 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone (CID 102662303) is 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone.
What is the SMILES notation for 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone?
The canonical SMILES for 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone is CCCCN1CCc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone?
The InChIKey is HBVQSXNVPLHFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-4-8-15-9-7-13-10-12(11(2)16)5-6-14(13)15/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone?
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-2,3-dihydroindol-5-yl)ethanone is sourced from PubChem (CID 102662303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).