2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one

C15H18FNO — CID 177460445

IUPAC2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one
SMILESC=CCC1(CCCC)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C15H18FNO/c1-3-5-9-15(8-4-2)14(18)12-10-11(16)6-7-13(12)17-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyGOLALTXTQBIADO-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.94
Rot. Bonds5

About 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one

2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one (PubChem CID 177460445) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one.

Molecular Properties

Compound Name2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one
PubChem CID177460445
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one
SMILESC=CCC1(CCCC)Nc2ccc(F)cc2C1=O
InChIInChI=1S/C15H18FNO/c1-3-5-9-15(8-4-2)14(18)12-10-11(16)6-7-13(12)17-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyGOLALTXTQBIADO-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3,3-bis(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
CID 51349402
methyl 6-fluoro-3-oxo-2-prop-2-enyl-1H-indole-2-carboxylate
CID 142664213
9,9-dibutyl-2,7-difluorofluorene
CID 139983199
3,3-diazido-6-fluoro-1H-quinoline-2,4-dione
CID 2786230
2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
4,4-dibutyl-2-(7-ethenyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-7-fluoronaphthalene-1,3-dione
CID 90738671
3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 79290992
3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione
CID 10530739
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
3,3-diethyl-7-fluoro-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308842
6-fluoro-4,4-dipropyl-1H-3,1-benzoxazin-2-one
CID 143713981
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one?
The IUPAC name of 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one (CID 177460445) is 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one.
What is the SMILES notation for 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one?
The canonical SMILES for 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one is C=CCC1(CCCC)Nc2ccc(F)cc2C1=O.
What is the InChIKey of 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one?
The InChIKey is GOLALTXTQBIADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-5-9-15(8-4-2)14(18)12-10-11(16)6-7-13(12)17-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3.
What are the key properties of 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one?
2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one has a molecular weight of 247.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-fluoro-2-prop-2-enyl-1H-indol-3-one is sourced from PubChem (CID 177460445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).