7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one

C11H17NO2 — CID 146282586

IUPAC7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESC=CCC1OC2(CCN(C)C2)CC1=O
InChIInChI=1S/C11H17NO2/c1-3-4-10-9(13)7-11(14-10)5-6-12(2)8-11/h3,10H,1,4-8H2,2H3
InChIKeyYXTFOJLXLXKCDC-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.99
Rot. Bonds2

About 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one

7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one (PubChem CID 146282586) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one
PubChem CID146282586
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESC=CCC1OC2(CCN(C)C2)CC1=O
InChIInChI=1S/C11H17NO2/c1-3-4-10-9(13)7-11(14-10)5-6-12(2)8-11/h3,10H,1,4-8H2,2H3
InChIKeyYXTFOJLXLXKCDC-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The IUPAC name of 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one (CID 146282586) is 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one is C=CCC1OC2(CCN(C)C2)CC1=O.
What is the InChIKey of 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The InChIKey is YXTFOJLXLXKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-10-9(13)7-11(14-10)5-6-12(2)8-11/h3,10H,1,4-8H2,2H3.
What are the key properties of 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one has a molecular weight of 195.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 146282586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).