(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one

C14H19NO3 — CID 101202909

IUPAC(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCOC1=CC=CC[C@@]12CN(C)C(=O)/C2=C(/C)OC
InChIInChI=1S/C14H19NO3/c1-10(17-3)12-13(16)15(2)9-14(12)8-6-5-7-11(14)18-4/h5-7H,8-9H2,1-4H3/b12-10+/t14-/m1/s1
InChIKeyAXHWNLYDGBORKU-IEZBTEQYSA-N
MW249.31 g/mol
LogP1.86
Rot. Bonds2

About (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one

(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one (PubChem CID 101202909) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one.

Molecular Properties

Compound Name(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
PubChem CID101202909
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCOC1=CC=CC[C@@]12CN(C)C(=O)/C2=C(/C)OC
InChIInChI=1S/C14H19NO3/c1-10(17-3)12-13(16)15(2)9-14(12)8-6-5-7-11(14)18-4/h5-7H,8-9H2,1-4H3/b12-10+/t14-/m1/s1
InChIKeyAXHWNLYDGBORKU-IEZBTEQYSA-N
XLogP1.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The IUPAC name of (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one (CID 101202909) is (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one.
What is the SMILES notation for (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The canonical SMILES for (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one is COC1=CC=CC[C@@]12CN(C)C(=O)/C2=C(/C)OC.
What is the InChIKey of (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The InChIKey is AXHWNLYDGBORKU-IEZBTEQYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(17-3)12-13(16)15(2)9-14(12)8-6-5-7-11(14)18-4/h5-7H,8-9H2,1-4H3/b12-10+/t14-/m1/s1.
What are the key properties of (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one is sourced from PubChem (CID 101202909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).