2,2-dimethyl-1-azabicyclo[2.1.0]pentane

C6H11N — CID 153124114

IUPAC2,2-dimethyl-1-azabicyclo[2.1.0]pentane
SMILESCC1(C)CC2CN21
InChIInChI=1S/C6H11N/c1-6(2)3-5-4-7(5)6/h5H,3-4H2,1-2H3
InChIKeyVVLIFBHAYZFQQB-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.85
Rot. Bonds

About 2,2-dimethyl-1-azabicyclo[2.1.0]pentane

2,2-dimethyl-1-azabicyclo[2.1.0]pentane (PubChem CID 153124114) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2,2-dimethyl-1-azabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2,2-dimethyl-1-azabicyclo[2.1.0]pentane
PubChem CID153124114
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2,2-dimethyl-1-azabicyclo[2.1.0]pentane
SMILESCC1(C)CC2CN21
InChIInChI=1S/C6H11N/c1-6(2)3-5-4-7(5)6/h5H,3-4H2,1-2H3
InChIKeyVVLIFBHAYZFQQB-UHFFFAOYSA-N
XLogP0.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-azabicyclo[2.1.0]pentane?
The IUPAC name of 2,2-dimethyl-1-azabicyclo[2.1.0]pentane (CID 153124114) is 2,2-dimethyl-1-azabicyclo[2.1.0]pentane.
What is the SMILES notation for 2,2-dimethyl-1-azabicyclo[2.1.0]pentane?
The canonical SMILES for 2,2-dimethyl-1-azabicyclo[2.1.0]pentane is CC1(C)CC2CN21.
What is the InChIKey of 2,2-dimethyl-1-azabicyclo[2.1.0]pentane?
The InChIKey is VVLIFBHAYZFQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)3-5-4-7(5)6/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azabicyclo[2.1.0]pentane?
2,2-dimethyl-1-azabicyclo[2.1.0]pentane has a molecular weight of 97.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azabicyclo[2.1.0]pentane is sourced from PubChem (CID 153124114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).