4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione

C17H13NO4 — CID 71492274

IUPAC4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione
SMILESC=C1C(=O)OC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO4/c1-12-15(20)22-17(9-7-14(19)8-10-17)16(21)18(12)11-13-5-3-2-4-6-13/h2-10H,1,11H2
InChIKeyPLEBBDKRJBHVFA-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.52
Rot. Bonds2

About 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione

4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione (PubChem CID 71492274) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione.

Molecular Properties

Compound Name4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione
PubChem CID71492274
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione
SMILESC=C1C(=O)OC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H13NO4/c1-12-15(20)22-17(9-7-14(19)8-10-17)16(21)18(12)11-13-5-3-2-4-6-13/h2-10H,1,11H2
InChIKeyPLEBBDKRJBHVFA-UHFFFAOYSA-N
XLogP1.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(3,4-difluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
CID 69009504
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CID 69058346
Methyl 6-(4-fluorobenzyl)-4-methoxy-2-methyl-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxylate
CID 69065040
Methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
CID 143248055
6-Benzyl-7-methyl-6H-pyrano[3,2-c]pyridine-2,5-dione
CID 10635528
Methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate
CID 71494030
methyl (Z)-3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]prop-2-enoate
CID 134853535
4-Benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione
CID 139191066
ethyl (Z)-3-[benzyl-(2-methoxyacetyl)amino]-2-methylbut-2-enoate
CID 15716744
4-Benzyl-6,6-dimethylmorpholine-2,5-dione
CID 24809732
Methyl 2-(4-benzylpiperazinyl)-2-oxoethyl (2E)but-2-ene-1,4-dioate
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{N-[(Ethoxycarbonyl)methyl]-N-benzylcarbamoyl}methyl methyl(2E)but-2-ene-1,4-dioate
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione?
The IUPAC name of 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione (CID 71492274) is 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione.
What is the SMILES notation for 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione?
The canonical SMILES for 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione is C=C1C(=O)OC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione?
The InChIKey is PLEBBDKRJBHVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-12-15(20)22-17(9-7-14(19)8-10-17)16(21)18(12)11-13-5-3-2-4-6-13/h2-10H,1,11H2.
What are the key properties of 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione?
4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione has a molecular weight of 295.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methylidene-1-oxa-4-azaspiro[5.5]undeca-7,10-diene-2,5,9-trione is sourced from PubChem (CID 71492274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).