1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one

C11H18N2O — CID 139383969

IUPAC1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCN1CC=CCC2(CCCN2C)C1=O
InChIInChI=1S/C11H18N2O/c1-12-8-4-3-6-11(10(12)14)7-5-9-13(11)2/h3-4H,5-9H2,1-2H3
InChIKeyJLDGYWDDCIHWBW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.87
Rot. Bonds

About 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one

1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139383969) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139383969
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCN1CC=CCC2(CCCN2C)C1=O
InChIInChI=1S/C11H18N2O/c1-12-8-4-3-6-11(10(12)14)7-5-9-13(11)2/h3-4H,5-9H2,1-2H3
InChIKeyJLDGYWDDCIHWBW-UHFFFAOYSA-N
XLogP0.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139383969) is 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one is CN1CC=CCC2(CCCN2C)C1=O.
What is the InChIKey of 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is JLDGYWDDCIHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-8-4-3-6-11(10(12)14)7-5-9-13(11)2/h3-4H,5-9H2,1-2H3.
What are the key properties of 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 194.28 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139383969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).