2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C19H18FNO — CID 77252315

IUPAC2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC(C)C1(c2ccc(F)cc2)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C19H18FNO/c1-12(2)18(13-7-9-14(20)10-8-13)11-19(18)15-5-3-4-6-16(15)21-17(19)22/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeySSILPYKUFZUTLZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.01
Rot. Bonds2

About 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 77252315) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID77252315
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC(C)C1(c2ccc(F)cc2)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C19H18FNO/c1-12(2)18(13-7-9-14(20)10-8-13)11-19(18)15-5-3-4-6-16(15)21-17(19)22/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeySSILPYKUFZUTLZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
CID 46900703
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
CID 46900156
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
CID 178047804
3-[[(1R,2R)-5'-fluoro-2-(4-fluorophenyl)-2'-oxo-2-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid;3-[[(1S,2S)-5'-fluoro-2-(4-fluorophenyl)-2'-oxo-2-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 157274964
1'-ethyl-2',2'-dimethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 15453222
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
CID 102100177
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
CID 146949857
CID 146949857
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477

Frequently Asked Questions

What is the IUPAC name of 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 77252315) is 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is CC(C)C1(c2ccc(F)cc2)CC12C(=O)Nc1ccccc12.
What is the InChIKey of 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is SSILPYKUFZUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-12(2)18(13-7-9-14(20)10-8-13)11-19(18)15-5-3-4-6-16(15)21-17(19)22/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 295.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 77252315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).