1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C19H21NO3 — CID 90618525

IUPAC1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)C3CC=CCC3)C2)c2ccccc21
InChIInChI=1S/C19H21NO3/c21-17(14-7-2-1-3-8-14)20-12-6-11-19(13-20)16-10-5-4-9-15(16)18(22)23-19/h1-2,4-5,9-10,14H,3,6-8,11-13H2
InChIKeyZPKBVRXLJPUVSX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds1

About 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618525) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618525
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)C3CC=CCC3)C2)c2ccccc21
InChIInChI=1S/C19H21NO3/c21-17(14-7-2-1-3-8-14)20-12-6-11-19(13-20)16-10-5-4-9-15(16)18(22)23-19/h1-2,4-5,9-10,14H,3,6-8,11-13H2
InChIKeyZPKBVRXLJPUVSX-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
CID 90618714
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
(3S)-1'-[(E)-3-phenylprop-2-enoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99882992
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-[3-(2,6-dichlorophenyl)propanoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618560
1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 73168203
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-(2-benzylsulfanylacetyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618497
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618525) is 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)C3CC=CCC3)C2)c2ccccc21.
What is the InChIKey of 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is ZPKBVRXLJPUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-17(14-7-2-1-3-8-14)20-12-6-11-19(13-20)16-10-5-4-9-15(16)18(22)23-19/h1-2,4-5,9-10,14H,3,6-8,11-13H2.
What are the key properties of 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohex-3-ene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).