(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one

C13H21NO2 — CID 135009049

IUPAC(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one
SMILESCO/C(C)=C1/C(=O)N(C)CC12CCCCC2
InChIInChI=1S/C13H21NO2/c1-10(16-3)11-12(15)14(2)9-13(11)7-5-4-6-8-13/h4-9H2,1-3H3/b11-10-
InChIKeyLVIGNALUQCZYDT-KHPPLWFESA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds1

About (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one

(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one (PubChem CID 135009049) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one
PubChem CID135009049
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one
SMILESCO/C(C)=C1/C(=O)N(C)CC12CCCCC2
InChIInChI=1S/C13H21NO2/c1-10(16-3)11-12(15)14(2)9-13(11)7-5-4-6-8-13/h4-9H2,1-3H3/b11-10-
InChIKeyLVIGNALUQCZYDT-KHPPLWFESA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one (CID 135009049) is (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one is CO/C(C)=C1/C(=O)N(C)CC12CCCCC2.
What is the InChIKey of (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is LVIGNALUQCZYDT-KHPPLWFESA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(16-3)11-12(15)14(2)9-13(11)7-5-4-6-8-13/h4-9H2,1-3H3/b11-10-.
What are the key properties of (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one?
(4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-methoxyethylidene)-2-methyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 135009049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).