5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione

C17H29NO2 — CID 79320757

IUPAC5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione
SMILESCC(C)C1CCCC2(CC1)CC(=O)NC(=O)C2C(C)C
InChIInChI=1S/C17H29NO2/c1-11(2)13-6-5-8-17(9-7-13)10-14(19)18-16(20)15(17)12(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIFLNLXWXABRFOG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds2

About 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione

5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione (PubChem CID 79320757) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione.

Molecular Properties

Compound Name5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione
PubChem CID79320757
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione
SMILESCC(C)C1CCCC2(CC1)CC(=O)NC(=O)C2C(C)C
InChIInChI=1S/C17H29NO2/c1-11(2)13-6-5-8-17(9-7-13)10-14(19)18-16(20)15(17)12(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIFLNLXWXABRFOG-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione?
The IUPAC name of 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione (CID 79320757) is 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione.
What is the SMILES notation for 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione?
The canonical SMILES for 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione is CC(C)C1CCCC2(CC1)CC(=O)NC(=O)C2C(C)C.
What is the InChIKey of 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione?
The InChIKey is IFLNLXWXABRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)13-6-5-8-17(9-7-13)10-14(19)18-16(20)15(17)12(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione?
5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione has a molecular weight of 279.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-di(propan-2-yl)-3-azaspiro[5.6]dodecane-2,4-dione is sourced from PubChem (CID 79320757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).