2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile

C16H17FN2O2 — CID 160963265

IUPAC2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile
SMILESCN1C(=O)C2(CCCCC2)c2c(F)cc(OCC#N)cc21
InChIInChI=1S/C16H17FN2O2/c1-19-13-10-11(21-8-7-18)9-12(17)14(13)16(15(19)20)5-3-2-4-6-16/h9-10H,2-6,8H2,1H3
InChIKeySXGXREUKJCMGFZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds2

About 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile

2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile (PubChem CID 160963265) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile
PubChem CID160963265
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile
SMILESCN1C(=O)C2(CCCCC2)c2c(F)cc(OCC#N)cc21
InChIInChI=1S/C16H17FN2O2/c1-19-13-10-11(21-8-7-18)9-12(17)14(13)16(15(19)20)5-3-2-4-6-16/h9-10H,2-6,8H2,1H3
InChIKeySXGXREUKJCMGFZ-UHFFFAOYSA-N
XLogP2.91
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4'-fluoro-2'-oxo-1'-(2,2,2-trifluoroethyl)spiro[cyclohexane-1,3'-indole]-6'-yl]oxyacetonitrile
CID 160606942
1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile
CID 162022219
6'-amino-4'-fluoro-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 176997437
tert-butyl 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594527
2-[4-(3-chloro-1-methyl-2-oxo-3,4-dihydropyridin-6-yl)-3,5-difluorophenoxy]acetonitrile
CID 153451297
2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 161392900
2-[4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-2-oxospiro[indole-3,4'-piperidine]-6-yl]oxy-N-methylsulfonylacetamide
CID 138594279
benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594996
2-[4-(1-ethyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 153451370
2-[3,5-difluoro-4-(5-iodo-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 158307649
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
2-[4-(1-ethyl-5-iodo-6-oxo-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 159149419

Frequently Asked Questions

What is the IUPAC name of 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile?
The IUPAC name of 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile (CID 160963265) is 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile.
What is the SMILES notation for 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile?
The canonical SMILES for 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile is CN1C(=O)C2(CCCCC2)c2c(F)cc(OCC#N)cc21.
What is the InChIKey of 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile?
The InChIKey is SXGXREUKJCMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19-13-10-11(21-8-7-18)9-12(17)14(13)16(15(19)20)5-3-2-4-6-16/h9-10H,2-6,8H2,1H3.
What are the key properties of 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile?
2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile has a molecular weight of 288.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)oxyacetonitrile is sourced from PubChem (CID 160963265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).