2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione

C16H22N2O3 — CID 166202054

IUPAC2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione
SMILESC=CCN1CCC(N2C(=O)CC3(CCCCC3)C2=O)C1=O
InChIInChI=1S/C16H22N2O3/c1-2-9-17-10-6-12(14(17)20)18-13(19)11-16(15(18)21)7-4-3-5-8-16/h2,12H,1,3-11H2
InChIKeyHCYMUZNXHJJKEG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 166202054) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID166202054
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione
SMILESC=CCN1CCC(N2C(=O)CC3(CCCCC3)C2=O)C1=O
InChIInChI=1S/C16H22N2O3/c1-2-9-17-10-6-12(14(17)20)18-13(19)11-16(15(18)21)7-4-3-5-8-16/h2,12H,1,3-11H2
InChIKeyHCYMUZNXHJJKEG-UHFFFAOYSA-N
XLogP1.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione (CID 166202054) is 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione is C=CCN1CCC(N2C(=O)CC3(CCCCC3)C2=O)C1=O.
What is the InChIKey of 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is HCYMUZNXHJJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-9-17-10-6-12(14(17)20)18-13(19)11-16(15(18)21)7-4-3-5-8-16/h2,12H,1,3-11H2.
What are the key properties of 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 290.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 166202054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).