[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone

C19H23NO2 — CID 99829191

IUPAC[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
SMILESO=C([C@H]1CC=CCC1)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H23NO2/c21-18(15-6-2-1-3-7-15)20-14-19(10-12-22-13-11-19)16-8-4-5-9-17(16)20/h1-2,4-5,8-9,15H,3,6-7,10-14H2/t15-/m0/s1
InChIKeyXILSYOOWQHBTSS-HNNXBMFYSA-N
MW297.40 g/mol
LogP3.44
Rot. Bonds1

About [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone

[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone (PubChem CID 99829191) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
PubChem CID99829191
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
SMILESO=C([C@H]1CC=CCC1)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H23NO2/c21-18(15-6-2-1-3-7-15)20-14-19(10-12-22-13-11-19)16-8-4-5-9-17(16)20/h1-2,4-5,8-9,15H,3,6-7,10-14H2/t15-/m0/s1
InChIKeyXILSYOOWQHBTSS-HNNXBMFYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120634057
piperidin-3-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119329090
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 11151925
ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 145172083
2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 120794020
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124574096
(3-methylimidazol-3-ium-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 122616488
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
CID 126809281
(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618525
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone (CID 99829191) is [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone is O=C([C@H]1CC=CCC1)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The InChIKey is XILSYOOWQHBTSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(15-6-2-1-3-7-15)20-14-19(10-12-22-13-11-19)16-8-4-5-9-17(16)20/h1-2,4-5,8-9,15H,3,6-7,10-14H2/t15-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone has a molecular weight of 297.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone is sourced from PubChem (CID 99829191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).