(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one

C14H24N2O — CID 70933214

IUPAC(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one
SMILESCN(C)/C=C1\CC2(CCC1=O)CCN(C)CC2
InChIInChI=1S/C14H24N2O/c1-15(2)11-12-10-14(5-4-13(12)17)6-8-16(3)9-7-14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyQOZRFRUMAPVHCH-VAWYXSNFSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds1

About (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one

(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one (PubChem CID 70933214) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one
PubChem CID70933214
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one
SMILESCN(C)/C=C1\CC2(CCC1=O)CCN(C)CC2
InChIInChI=1S/C14H24N2O/c1-15(2)11-12-10-14(5-4-13(12)17)6-8-16(3)9-7-14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyQOZRFRUMAPVHCH-VAWYXSNFSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one?
The IUPAC name of (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one (CID 70933214) is (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one.
What is the SMILES notation for (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one?
The canonical SMILES for (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one is CN(C)/C=C1\CC2(CCC1=O)CCN(C)CC2.
What is the InChIKey of (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one?
The InChIKey is QOZRFRUMAPVHCH-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15(2)11-12-10-14(5-4-13(12)17)6-8-16(3)9-7-14/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one?
(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one has a molecular weight of 236.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one is sourced from PubChem (CID 70933214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).