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

C15H21NO4 — CID 101202920

IUPAC(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCOC1=CC[C@@]2(CN(C)C(=O)/C2=C(/C)OC)C(OC)=C1
InChIInChI=1S/C15H21NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)8-12(15)20-5/h6,8H,7,9H2,1-5H3/b13-10+/t15-/m1/s1
InChIKeyMOYPANJZVQIKIF-NRMKIYEFSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds3

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

(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one (PubChem CID 101202920) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one.

Molecular Properties

Compound Name(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
PubChem CID101202920
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCOC1=CC[C@@]2(CN(C)C(=O)/C2=C(/C)OC)C(OC)=C1
InChIInChI=1S/C15H21NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)8-12(15)20-5/h6,8H,7,9H2,1-5H3/b13-10+/t15-/m1/s1
InChIKeyMOYPANJZVQIKIF-NRMKIYEFSA-N
XLogP1.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,5R)-6-methoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
CID 101202909
(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one
CID 177469590
CID 11270735
CID 11270735
2-methoxy-5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
CID 118295543
1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 130655617
(3R)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
CID 162920214
(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
CID 129391869
4-(2-hydroxy-3-methoxy-2-methoxycarbonyl-5-oxopyrrol-1-yl)butanoic acid
CID 10891031
3-methoxy-1-propylpyrrole-2,5-dione
CID 174719106
6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
CID 10611170
2-(4-methoxycarbonyl-2-methyl-1,5-dioxo-3H-2-benzazepin-4-yl)acetic acid
CID 139822102
methyl (4aS,8aR)-7-methoxy-2-methyl-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carboxylate
CID 10848340

Frequently Asked Questions

What is the IUPAC name of (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The IUPAC name of (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one (CID 101202920) is (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one.
What is the SMILES notation for (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The canonical SMILES for (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one is COC1=CC[C@@]2(CN(C)C(=O)/C2=C(/C)OC)C(OC)=C1.
What is the InChIKey of (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The InChIKey is MOYPANJZVQIKIF-NRMKIYEFSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)8-12(15)20-5/h6,8H,7,9H2,1-5H3/b13-10+/t15-/m1/s1.
What are the key properties of (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one has a molecular weight of 279.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one is sourced from PubChem (CID 101202920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).