ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate

C17H23NO4 — CID 171828759

IUPACethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
SMILESCCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C(C)=CC(=O)C=C2C
InChIInChI=1S/C17H23NO4/c1-6-18-10-17(11(3)8-13(19)9-12(17)4)16(5,14(18)20)15(21)22-7-2/h8-9H,6-7,10H2,1-5H3/t16-/m1/s1
InChIKeyLKBYHQMVALTZDF-MRXNPFEDSA-N
MW305.37 g/mol
LogP1.88
Rot. Bonds3

About ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate

ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate (PubChem CID 171828759) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
PubChem CID171828759
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
SMILESCCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C(C)=CC(=O)C=C2C
InChIInChI=1S/C17H23NO4/c1-6-18-10-17(11(3)8-13(19)9-12(17)4)16(5,14(18)20)15(21)22-7-2/h8-9H,6-7,10H2,1-5H3/t16-/m1/s1
InChIKeyLKBYHQMVALTZDF-MRXNPFEDSA-N
XLogP1.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The IUPAC name of ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate (CID 171828759) is ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate is CCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C(C)=CC(=O)C=C2C.
What is the InChIKey of ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The InChIKey is LKBYHQMVALTZDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO4/c1-6-18-10-17(11(3)8-13(19)9-12(17)4)16(5,14(18)20)15(21)22-7-2/h8-9H,6-7,10H2,1-5H3/t16-/m1/s1.
What are the key properties of ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-ethyl-4,6,10-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate is sourced from PubChem (CID 171828759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).