7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione

C15H21NO2 — CID 132503890

IUPAC7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione
SMILESC=CCC1CCC2(CCCC2=O)C(=O)N1CC=C
InChIInChI=1S/C15H21NO2/c1-3-6-12-8-10-15(9-5-7-13(15)17)14(18)16(12)11-4-2/h3-4,12H,1-2,5-11H2
InChIKeyOYNGUVYXXNIVQH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds4

About 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione

7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione (PubChem CID 132503890) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione.

Molecular Properties

Compound Name7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione
PubChem CID132503890
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione
SMILESC=CCC1CCC2(CCCC2=O)C(=O)N1CC=C
InChIInChI=1S/C15H21NO2/c1-3-6-12-8-10-15(9-5-7-13(15)17)14(18)16(12)11-4-2/h3-4,12H,1-2,5-11H2
InChIKeyOYNGUVYXXNIVQH-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
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 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione?
The IUPAC name of 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione (CID 132503890) is 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione.
What is the SMILES notation for 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione?
The canonical SMILES for 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione is C=CCC1CCC2(CCCC2=O)C(=O)N1CC=C.
What is the InChIKey of 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione?
The InChIKey is OYNGUVYXXNIVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-6-12-8-10-15(9-5-7-13(15)17)14(18)16(12)11-4-2/h3-4,12H,1-2,5-11H2.
What are the key properties of 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione?
7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione has a molecular weight of 247.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione is sourced from PubChem (CID 132503890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).