3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H17NO4 — CID 122187193

IUPAC3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc3c(c2)OCO3)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H17NO4/c1-24-22(26)20(16-7-8-18-19(13-16)28-14-27-18)21(15-5-3-2-4-6-15)23(24)11-9-17(25)10-12-23/h2-13H,14H2,1H3
InChIKeyDCHNAPOLCQAIIO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.23
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187193) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187193
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc3c(c2)OCO3)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H17NO4/c1-24-22(26)20(16-7-8-18-19(13-16)28-14-27-18)21(15-5-3-2-4-6-15)23(24)11-9-17(25)10-12-23/h2-13H,14H2,1H3
InChIKeyDCHNAPOLCQAIIO-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methylenedioxypyrovalerone
CID 20111961
5,7,8,15-Tetrahydro-6-methylbis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one
CID 185559
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
Tetrahydropiperine
CID 581676
1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)-1-butanone
CID 71308182
Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
CID 669592
Piperazine, 1-benzoyl-4-piperonyl-
CID 201764
Dipentylone
CID 119057570
5,6-dihydro-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno(1,2-c)isoquinoline
CID 329826
(E)-N-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 18159637
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)propanamide
CID 1529576
N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 2813904

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187193) is 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CN1C(=O)C(c2ccc3c(c2)OCO3)=C(c2ccccc2)C12C=CC(=O)C=C2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is DCHNAPOLCQAIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-24-22(26)20(16-7-8-18-19(13-16)28-14-27-18)21(15-5-3-2-4-6-15)23(24)11-9-17(25)10-12-23/h2-13H,14H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 371.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).