actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide

C14H24AcNO2- — CID 59063034

IUPACactinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1C.[Ac]
InChIInChI=1S/C14H24NO2.Ac/c1-5-10(6-2)13(15)12-8-11(7-9(12)3)14(16)17-4;/h8-10,12-13,15H,5-7H2,1-4H3;/q-1;/t9-,12-,13?;/m1./s1
InChIKeyIIUWTOGKNBJTQG-OCLUFJDDSA-N
MW465.35 g/mol
LogP3.60
Rot. Bonds5

About actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide

actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide (PubChem CID 59063034) has the molecular formula C14H24AcNO2- and a molecular weight of 465.35 g/mol. Its IUPAC name is actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide.

Molecular Properties

Compound Nameactinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide
PubChem CID59063034
Molecular FormulaC14H24AcNO2-
Molecular Weight465.35 g/mol
Exact Mass465.21
IUPAC Nameactinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1C.[Ac]
InChIInChI=1S/C14H24NO2.Ac/c1-5-10(6-2)13(15)12-8-11(7-9(12)3)14(16)17-4;/h8-10,12-13,15H,5-7H2,1-4H3;/q-1;/t9-,12-,13?;/m1./s1
InChIKeyIIUWTOGKNBJTQG-OCLUFJDDSA-N
XLogP3.60
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide?
The IUPAC name of actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide (CID 59063034) is actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide.
What is the SMILES notation for actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide?
The canonical SMILES for actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide is CCC(CC)C([NH-])[C@@H]1C=C(C(=O)OC)C[C@H]1C.[Ac].
What is the InChIKey of actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide?
The InChIKey is IIUWTOGKNBJTQG-OCLUFJDDSA-N. The full InChI is InChI=1S/C14H24NO2.Ac/c1-5-10(6-2)13(15)12-8-11(7-9(12)3)14(16)17-4;/h8-10,12-13,15H,5-7H2,1-4H3;/q-1;/t9-,12-,13?;/m1./s1.
What are the key properties of actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide?
actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide has a molecular weight of 465.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[2-ethyl-1-[(1S,5R)-3-methoxycarbonyl-5-methylcyclopent-2-en-1-yl]butyl]azanide is sourced from PubChem (CID 59063034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).