1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone

C19H18FNO2 — CID 159235972

IUPAC1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CN2CC3(CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H18FNO2/c20-15-5-6-17-16(9-15)19(7-8-19)12-21(17)10-13-1-3-14(4-2-13)18(23)11-22/h1-6,9,22H,7-8,10-12H2
InChIKeyZNLDHWNQCNVEBM-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone

1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone (PubChem CID 159235972) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone
PubChem CID159235972
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CN2CC3(CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H18FNO2/c20-15-5-6-17-16(9-15)19(7-8-19)12-21(17)10-13-1-3-14(4-2-13)18(23)11-22/h1-6,9,22H,7-8,10-12H2
InChIKeyZNLDHWNQCNVEBM-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 158369593
2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
CID 91582523
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
methyl 4-[[1-[(4-chlorophenyl)carbamoyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23764355
methyl 4-[[5-fluoro-1-[(4-methylphenyl)carbamoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23936369
methyl 4-[[1-(2-chloropyridine-4-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23855468
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
methyl 4-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23790401
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
CID 59614262
1-[5-fluoro-1'-[(2R)-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
CID 70658258
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone (CID 159235972) is 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(CN2CC3(CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone?
The InChIKey is ZNLDHWNQCNVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-15-5-6-17-16(9-15)19(7-8-19)12-21(17)10-13-1-3-14(4-2-13)18(23)11-22/h1-6,9,22H,7-8,10-12H2.
What are the key properties of 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone?
1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone has a molecular weight of 311.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 159235972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).