7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone

C16H16FNO — CID 82792286

IUPAC7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cccc(F)c12)C1C2CCCCC21
InChIInChI=1S/C16H16FNO/c17-12-6-3-7-13-15(12)11(8-18-13)16(19)14-9-4-1-2-5-10(9)14/h3,6-10,14,18H,1-2,4-5H2
InChIKeyDSZTVMZIZMEZDG-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.93
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone

7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82792286) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82792286
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cccc(F)c12)C1C2CCCCC21
InChIInChI=1S/C16H16FNO/c17-12-6-3-7-13-15(12)11(8-18-13)16(19)14-9-4-1-2-5-10(9)14/h3,6-10,14,18H,1-2,4-5H2
InChIKeyDSZTVMZIZMEZDG-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 82792647
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 166943797
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
2-(4-fluoro-1H-indol-3-yl)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
CID 156821103
4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
CID 136565891

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone (CID 82792286) is 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2cccc(F)c12)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is DSZTVMZIZMEZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-12-6-3-7-13-15(12)11(8-18-13)16(19)14-9-4-1-2-5-10(9)14/h3,6-10,14,18H,1-2,4-5H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 257.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82792286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).