lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane

C12H22LrNO2- — CID 153331494

IUPAClawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane
SMILES[CH2-]C1(C)COC2(COC2)CN(C(C)C)C1.[Lr]
InChIInChI=1S/C12H22NO2.Lr/c1-10(2)13-5-11(3,4)7-15-12(6-13)8-14-9-12;/h10H,3,5-9H2,1-2,4H3;/q-1;
InChIKeyZYYUPFHPFMBXII-UHFFFAOYSA-N
MW474.31 g/mol
LogP1.34
Rot. Bonds1

About lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane

lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane (PubChem CID 153331494) has the molecular formula C12H22LrNO2- and a molecular weight of 474.31 g/mol. Its IUPAC name is lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane.

Molecular Properties

Compound Namelawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane
PubChem CID153331494
Molecular FormulaC12H22LrNO2-
Molecular Weight474.31 g/mol
Exact Mass474.28
IUPAC Namelawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane
SMILES[CH2-]C1(C)COC2(COC2)CN(C(C)C)C1.[Lr]
InChIInChI=1S/C12H22NO2.Lr/c1-10(2)13-5-11(3,4)7-15-12(6-13)8-14-9-12;/h10H,3,5-9H2,1-2,4H3;/q-1;
InChIKeyZYYUPFHPFMBXII-UHFFFAOYSA-N
XLogP1.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane?
The IUPAC name of lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane (CID 153331494) is lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane.
What is the SMILES notation for lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane?
The canonical SMILES for lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane is [CH2-]C1(C)COC2(COC2)CN(C(C)C)C1.[Lr].
What is the InChIKey of lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane?
The InChIKey is ZYYUPFHPFMBXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2.Lr/c1-10(2)13-5-11(3,4)7-15-12(6-13)8-14-9-12;/h10H,3,5-9H2,1-2,4H3;/q-1;.
What are the key properties of lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane?
lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane has a molecular weight of 474.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane is sourced from PubChem (CID 153331494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).