lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one

C10H18LrNO2- — CID 156710230

IUPAClawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one
SMILES[CH2-]C1(C)COCC(=O)NC(C)(C)C1.[Lr]
InChIInChI=1S/C10H18NO2.Lr/c1-9(2)6-10(3,4)11-8(12)5-13-7-9;/h1,5-7H2,2-4H3,(H,11,12);/q-1;
InChIKeyJWDFMTOJIRHFKH-UHFFFAOYSA-N
MW446.26 g/mol
LogP1.14
Rot. Bonds

About lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one

lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one (PubChem CID 156710230) has the molecular formula C10H18LrNO2- and a molecular weight of 446.26 g/mol. Its IUPAC name is lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one.

Molecular Properties

Compound Namelawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one
PubChem CID156710230
Molecular FormulaC10H18LrNO2-
Molecular Weight446.26 g/mol
Exact Mass446.24
IUPAC Namelawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one
SMILES[CH2-]C1(C)COCC(=O)NC(C)(C)C1.[Lr]
InChIInChI=1S/C10H18NO2.Lr/c1-9(2)6-10(3,4)11-8(12)5-13-7-9;/h1,5-7H2,2-4H3,(H,11,12);/q-1;
InChIKeyJWDFMTOJIRHFKH-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5,5,7-trimethyl-1,4-oxazocan-3-one?
The IUPAC name of lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one (CID 156710230) is lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one.
What is the SMILES notation for lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one?
The canonical SMILES for lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one is [CH2-]C1(C)COCC(=O)NC(C)(C)C1.[Lr].
What is the InChIKey of lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one?
The InChIKey is JWDFMTOJIRHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2.Lr/c1-9(2)6-10(3,4)11-8(12)5-13-7-9;/h1,5-7H2,2-4H3,(H,11,12);/q-1;.
What are the key properties of lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one?
lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one has a molecular weight of 446.26 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;7-methanidyl-5,5,7-trimethyl-1,4-oxazocan-3-one is sourced from PubChem (CID 156710230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).