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

C14H19NO2 — CID 177469590

IUPAC(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCO/C(C)=C1/C(=O)N(C)C[C@]12C=CC(C)=CC2
InChIInChI=1S/C14H19NO2/c1-10-5-7-14(8-6-10)9-15(3)13(16)12(14)11(2)17-4/h5-7H,8-9H2,1-4H3/b12-11-/t14-/m1/s1
InChIKeyIRRQFYZTDGGKIK-XMXAVACDSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds1

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

(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one (PubChem CID 177469590) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one.

Molecular Properties

Compound Name(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one
PubChem CID177469590
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one
SMILESCO/C(C)=C1/C(=O)N(C)C[C@]12C=CC(C)=CC2
InChIInChI=1S/C14H19NO2/c1-10-5-7-14(8-6-10)9-15(3)13(16)12(14)11(2)17-4/h5-7H,8-9H2,1-4H3/b12-11-/t14-/m1/s1
InChIKeyIRRQFYZTDGGKIK-XMXAVACDSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

(4Z,5R)-6,8-dimethoxy-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]deca-6,8-dien-3-one
CID 101202920
CID 11270735
CID 11270735
1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
CID 154480031
bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-3-methylbutan-2-one
CID 70947564
1,4-dimethylcyclohexa-2,4-diene-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 161301582
4-methyl-1-[(1-methyl-2-oxopiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-sulfonic acid
CID 86602439
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
CID 140996637
(1,4-dimethylcyclohexa-2,4-dien-1-yl)thiourea
CID 141395156
5,5-diisocyanato-2-methylcyclohexa-1,3-diene
CID 87530609
5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene
CID 166756510

Frequently Asked Questions

What is the IUPAC name of (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The IUPAC name of (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one (CID 177469590) is (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one.
What is the SMILES notation for (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The canonical SMILES for (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one is CO/C(C)=C1/C(=O)N(C)C[C@]12C=CC(C)=CC2.
What is the InChIKey of (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
The InChIKey is IRRQFYZTDGGKIK-XMXAVACDSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-7-14(8-6-10)9-15(3)13(16)12(14)11(2)17-4/h5-7H,8-9H2,1-4H3/b12-11-/t14-/m1/s1.
What are the key properties of (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one?
(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one is sourced from PubChem (CID 177469590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).