(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

C12H15NO2 — CID 102016039

IUPAC(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1CC(=C)[C@@]2(CCCC2=O)C1=O
InChIInChI=1S/C12H15NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3H,1-2,4-8H2/t12-/m1/s1
InChIKeyNQPUPWWQEAIZSD-GFCCVEGCSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds2

About (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione

(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 102016039) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID102016039
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC=CCN1CC(=C)[C@@]2(CCCC2=O)C1=O
InChIInChI=1S/C12H15NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3H,1-2,4-8H2/t12-/m1/s1
InChIKeyNQPUPWWQEAIZSD-GFCCVEGCSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione (CID 102016039) is (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is C=CCN1CC(=C)[C@@]2(CCCC2=O)C1=O.
What is the InChIKey of (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is NQPUPWWQEAIZSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-13-8-9(2)12(11(13)15)6-4-5-10(12)14/h3H,1-2,4-8H2/t12-/m1/s1.
What are the key properties of (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione?
(5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 205.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-methylidene-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 102016039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).