(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one

C13H22N2O — CID 141347107

IUPAC(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one
SMILESCN(C)/C=C1\CNCCC12CCC(=O)CC2
InChIInChI=1S/C13H22N2O/c1-15(2)10-11-9-14-8-7-13(11)5-3-12(16)4-6-13/h10,14H,3-9H2,1-2H3/b11-10+
InChIKeyHQCHEKLTXJMBTO-ZHACJKMWSA-N
MW222.33 g/mol
LogP1.55
Rot. Bonds1

About (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one

(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one (PubChem CID 141347107) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one
PubChem CID141347107
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one
SMILESCN(C)/C=C1\CNCCC12CCC(=O)CC2
InChIInChI=1S/C13H22N2O/c1-15(2)10-11-9-14-8-7-13(11)5-3-12(16)4-6-13/h10,14H,3-9H2,1-2H3/b11-10+
InChIKeyHQCHEKLTXJMBTO-ZHACJKMWSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(10E)-10-(dimethylaminomethylidene)-3-methyl-3-azaspiro[5.5]undecan-9-one
CID 70933214
6-Methyl-1-piperidin-4-ylhept-6-en-3-one
CID 114477910
4-Methyl-1-(4-methylpiperidin-4-yl)pent-4-en-1-one
CID 114477924
1-(4-Ethylpiperidin-4-yl)-4-methylpent-4-en-1-one
CID 114477925
1-(3-Ethylpiperidin-3-yl)-4-methylpent-4-en-1-one
CID 114477927
4-Methyl-1-(4-propylpiperidin-4-yl)pent-4-en-1-one
CID 114477929
4-Methyl-1-(3-methylpiperidin-3-yl)pent-4-en-1-one
CID 114477930
4-Methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one
CID 114477931
2,6-Dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
5-Methyl-1-piperidin-4-ylhex-5-en-3-one
CID 116563470
5-Methylidene-1-piperidin-4-ylheptan-3-one
CID 116563526
3-Methylidene-1-(4-methylpiperidin-4-yl)pentan-1-one
CID 116567745

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one (CID 141347107) is (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one is CN(C)/C=C1\CNCCC12CCC(=O)CC2.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one?
The InChIKey is HQCHEKLTXJMBTO-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)10-11-9-14-8-7-13(11)5-3-12(16)4-6-13/h10,14H,3-9H2,1-2H3/b11-10+.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one?
(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one has a molecular weight of 222.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one is sourced from PubChem (CID 141347107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).