methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate

C18H15NO4 — CID 71494030

IUPACmethyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate
SMILESCOC(=O)C1=CC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H15NO4/c1-23-16(21)15-11-18(9-7-14(20)8-10-18)17(22)19(15)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyMTSYEJPCRGHWRX-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.77
Rot. Bonds3

About methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate

methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate (PubChem CID 71494030) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate
PubChem CID71494030
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate
SMILESCOC(=O)C1=CC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H15NO4/c1-23-16(21)15-11-18(9-7-14(20)8-10-18)17(22)19(15)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyMTSYEJPCRGHWRX-UHFFFAOYSA-N
XLogP1.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate?
The IUPAC name of methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate (CID 71494030) is methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate.
What is the SMILES notation for methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate?
The canonical SMILES for methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate is COC(=O)C1=CC2(C=CC(=O)C=C2)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate?
The InChIKey is MTSYEJPCRGHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-16(21)15-11-18(9-7-14(20)8-10-18)17(22)19(15)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate?
methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-1,8-dioxo-2-azaspiro[4.5]deca-3,6,9-triene-3-carboxylate is sourced from PubChem (CID 71494030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).