10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

C13H21NO3 — CID 79321636

IUPAC10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CC2(CCO1)CC(=O)NC(=O)C2C(C)C
InChIInChI=1S/C13H21NO3/c1-8(2)11-12(16)14-10(15)7-13(11)4-5-17-9(3)6-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYHVVXPFHAPKTMA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.49
Rot. Bonds1

About 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79321636) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79321636
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CC2(CCO1)CC(=O)NC(=O)C2C(C)C
InChIInChI=1S/C13H21NO3/c1-8(2)11-12(16)14-10(15)7-13(11)4-5-17-9(3)6-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYHVVXPFHAPKTMA-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (CID 79321636) is 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is CC1CC2(CCO1)CC(=O)NC(=O)C2C(C)C.
What is the InChIKey of 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is YHVVXPFHAPKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)11-12(16)14-10(15)7-13(11)4-5-17-9(3)6-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 239.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79321636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).