3-propan-2-yl-1-azabicyclo[1.1.0]butane

C6H11N — CID 147585307

IUPAC3-propan-2-yl-1-azabicyclo[1.1.0]butane
SMILESCC(C)C12CN1C2
InChIInChI=1S/C6H11N/c1-5(2)6-3-7(6)4-6/h5H,3-4H2,1-2H3
InChIKeyFXFGXXARPWCZNC-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.71
Rot. Bonds1

About 3-propan-2-yl-1-azabicyclo[1.1.0]butane

3-propan-2-yl-1-azabicyclo[1.1.0]butane (PubChem CID 147585307) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-propan-2-yl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name3-propan-2-yl-1-azabicyclo[1.1.0]butane
PubChem CID147585307
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-propan-2-yl-1-azabicyclo[1.1.0]butane
SMILESCC(C)C12CN1C2
InChIInChI=1S/C6H11N/c1-5(2)6-3-7(6)4-6/h5H,3-4H2,1-2H3
InChIKeyFXFGXXARPWCZNC-UHFFFAOYSA-N
XLogP0.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.71
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 3-propan-2-yl-1-azabicyclo[1.1.0]butane?
The IUPAC name of 3-propan-2-yl-1-azabicyclo[1.1.0]butane (CID 147585307) is 3-propan-2-yl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 3-propan-2-yl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 3-propan-2-yl-1-azabicyclo[1.1.0]butane is CC(C)C12CN1C2.
What is the InChIKey of 3-propan-2-yl-1-azabicyclo[1.1.0]butane?
The InChIKey is FXFGXXARPWCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6-3-7(6)4-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-azabicyclo[1.1.0]butane?
3-propan-2-yl-1-azabicyclo[1.1.0]butane has a molecular weight of 97.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 147585307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).