beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine

C11H23BeN — CID 173479444

IUPACberyllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine
SMILES[Be+2].[CH2-]C.[CH2-]C1CCCN1CC(C)C
InChIInChI=1S/C9H18N.C2H5.Be/c1-8(2)7-10-6-4-5-9(10)3;1-2;/h8-9H,3-7H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyRKEKYFDHEYHQLG-UHFFFAOYSA-N
MW178.32 g/mol
LogP2.40
Rot. Bonds2

About beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine

beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine (PubChem CID 173479444) has the molecular formula C11H23BeN and a molecular weight of 178.32 g/mol. Its IUPAC name is beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Nameberyllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine
PubChem CID173479444
Molecular FormulaC11H23BeN
Molecular Weight178.32 g/mol
Exact Mass178.20
IUPAC Nameberyllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine
SMILES[Be+2].[CH2-]C.[CH2-]C1CCCN1CC(C)C
InChIInChI=1S/C9H18N.C2H5.Be/c1-8(2)7-10-6-4-5-9(10)3;1-2;/h8-9H,3-7H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyRKEKYFDHEYHQLG-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine (CID 173479444) is beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine is [Be+2].[CH2-]C.[CH2-]C1CCCN1CC(C)C.
What is the InChIKey of beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine?
The InChIKey is RKEKYFDHEYHQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N.C2H5.Be/c1-8(2)7-10-6-4-5-9(10)3;1-2;/h8-9H,3-7H2,1-2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine?
beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine has a molecular weight of 178.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 173479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).