(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one

C11H15NO — CID 58668354

IUPAC(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=CC2(CC(=O)N2)[C@H](C)[C@@H]1C
InChIInChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13)/t8-,9-,11?/m1/s1
InChIKeySBQVGNGLQGRGOI-RUZZIDMASA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds

About (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one

(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 58668354) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
PubChem CID58668354
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=CC2(CC(=O)N2)[C@H](C)[C@@H]1C
InChIInChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13)/t8-,9-,11?/m1/s1
InChIKeySBQVGNGLQGRGOI-RUZZIDMASA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one (CID 58668354) is (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one.
What is the SMILES notation for (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one is C=C1C=CC2(CC(=O)N2)[C@H](C)[C@@H]1C.
What is the InChIKey of (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is SBQVGNGLQGRGOI-RUZZIDMASA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-5-11(6-10(13)12-11)9(3)8(7)2/h4-5,8-9H,1,6H2,2-3H3,(H,12,13)/t8-,9-,11?/m1/s1.
What are the key properties of (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one?
(5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-dimethyl-7-methylidene-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 58668354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).