8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione

C12H15NO2 — CID 15698252

IUPAC8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione
SMILESC#CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H15NO2/c1-2-7-13-10(14)8-12(9-11(13)15)5-3-4-6-12/h1H,3-9H2
InChIKeyPSFYTQQKPKMRLG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds1

About 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione

8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 15698252) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID15698252
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione
SMILESC#CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H15NO2/c1-2-7-13-10(14)8-12(9-11(13)15)5-3-4-6-12/h1H,3-9H2
InChIKeyPSFYTQQKPKMRLG-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione (CID 15698252) is 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione is C#CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is PSFYTQQKPKMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-7-13-10(14)8-12(9-11(13)15)5-3-4-6-12/h1H,3-9H2.
What are the key properties of 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione?
8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 205.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 15698252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).