1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one

C9H13NO2 — CID 123782163

IUPAC1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESC=C1OC(=O)N(C)C12CCCC2
InChIInChI=1S/C9H13NO2/c1-7-9(5-3-4-6-9)10(2)8(11)12-7/h1,3-6H2,2H3
InChIKeyBPSSGJIESNIKLC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.89
Rot. Bonds

About 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one

1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 123782163) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID123782163
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESC=C1OC(=O)N(C)C12CCCC2
InChIInChI=1S/C9H13NO2/c1-7-9(5-3-4-6-9)10(2)8(11)12-7/h1,3-6H2,2H3
InChIKeyBPSSGJIESNIKLC-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-azaspiro[4.4]nonane-2,4-dione
CID 14507935
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
CID 83880106
1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83873875
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
CID 171384862
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886456
ethane;1,3,3-trimethyl-2-methylideneazepane
CID 143837467
4-methyl-2,6-dimethylidenemorpholine
CID 89269589
1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113437173
3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 14639021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 123782163) is 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one is C=C1OC(=O)N(C)C12CCCC2.
What is the InChIKey of 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is BPSSGJIESNIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-9(5-3-4-6-9)10(2)8(11)12-7/h1,3-6H2,2H3.
What are the key properties of 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one?
1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 123782163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).