4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one

C9H15NO — CID 176748808

IUPAC4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)C1C(=O)NC2CC21
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6(5)10-8(7)11/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyBKUBCKMVYJWRPI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds

About 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one

4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one (PubChem CID 176748808) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
PubChem CID176748808
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)C1C(=O)NC2CC21
InChIInChI=1S/C9H15NO/c1-9(2,3)7-5-4-6(5)10-8(7)11/h5-7H,4H2,1-3H3,(H,10,11)
InChIKeyBKUBCKMVYJWRPI-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one (CID 176748808) is 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one is CC(C)(C)C1C(=O)NC2CC21.
What is the InChIKey of 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one?
The InChIKey is BKUBCKMVYJWRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-5-4-6(5)10-8(7)11/h5-7H,4H2,1-3H3,(H,10,11).
What are the key properties of 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one?
4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 176748808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).