actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

C8H15AcNO3 — CID 23377388

IUPACactinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)C1OC(O)C(C)C1C.[Ac]
InChIInChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);
InChIKeyVRADVOIFEKEJKM-UHFFFAOYSA-N
MW400.21 g/mol
LogP-0.28
Rot. Bonds1

About actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (PubChem CID 23377388) has the molecular formula C8H15AcNO3 and a molecular weight of 400.21 g/mol. Its IUPAC name is actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Nameactinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
PubChem CID23377388
Molecular FormulaC8H15AcNO3
Molecular Weight400.21 g/mol
Exact Mass400.13
IUPAC Nameactinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)C1OC(O)C(C)C1C.[Ac]
InChIInChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);
InChIKeyVRADVOIFEKEJKM-UHFFFAOYSA-N
XLogP-0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The IUPAC name of actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (CID 23377388) is actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.
What is the SMILES notation for actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The canonical SMILES for actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is CNC(=O)C1OC(O)C(C)C1C.[Ac].
What is the InChIKey of actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The InChIKey is VRADVOIFEKEJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.Ac/c1-4-5(2)8(11)12-6(4)7(10)9-3;/h4-6,8,11H,1-3H3,(H,9,10);.
What are the key properties of actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide has a molecular weight of 400.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 23377388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).