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

C22H17NO5 — CID 90618507

IUPAC1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21
InChIInChI=1S/C22H17NO5/c24-19(16-12-14-6-1-4-9-18(14)27-20(16)25)23-11-5-10-22(13-23)17-8-3-2-7-15(17)21(26)28-22/h1-4,6-9,12H,5,10-11,13H2
InChIKeyVHYIILMWUVYKSN-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.09
Rot. Bonds1

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

1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618507) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618507
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21
InChIInChI=1S/C22H17NO5/c24-19(16-12-14-6-1-4-9-18(14)27-20(16)25)23-11-5-10-22(13-23)17-8-3-2-7-15(17)21(26)28-22/h1-4,6-9,12H,5,10-11,13H2
InChIKeyVHYIILMWUVYKSN-UHFFFAOYSA-N
XLogP3.09
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 171906991
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
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
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142457

Frequently Asked Questions

What is the IUPAC name of 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618507) is 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21.
What is the InChIKey of 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is VHYIILMWUVYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c24-19(16-12-14-6-1-4-9-18(14)27-20(16)25)23-11-5-10-22(13-23)17-8-3-2-7-15(17)21(26)28-22/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 375.38 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).