(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one

C8H13NO — CID 55299406

IUPAC(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)[C@@]12C[C@@H]1CNC2=O
InChIInChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyAKNQCGSUYQQFEX-SVRRBLITSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds1

About (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one

(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 55299406) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID55299406
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)[C@@]12C[C@@H]1CNC2=O
InChIInChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyAKNQCGSUYQQFEX-SVRRBLITSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one (CID 55299406) is (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one is CC(C)[C@@]12C[C@@H]1CNC2=O.
What is the InChIKey of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is AKNQCGSUYQQFEX-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO/c1-5(2)8-3-6(8)4-9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-,8+/m1/s1.
What are the key properties of (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 55299406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).