(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one

C7H11NO — CID 164674373

IUPAC(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C[C@@H]2C[C@]2(C)C1=O
InChIInChI=1S/C7H11NO/c1-7-3-5(7)4-8(2)6(7)9/h5H,3-4H2,1-2H3/t5-,7-/m0/s1
InChIKeyLVTPGWWVBUOOQC-FSPLSTOPSA-N
MW125.17 g/mol
LogP0.48
Rot. Bonds

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

(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 164674373) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID164674373
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C[C@@H]2C[C@]2(C)C1=O
InChIInChI=1S/C7H11NO/c1-7-3-5(7)4-8(2)6(7)9/h5H,3-4H2,1-2H3/t5-,7-/m0/s1
InChIKeyLVTPGWWVBUOOQC-FSPLSTOPSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (CID 164674373) is (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is CN1C[C@@H]2C[C@]2(C)C1=O.
What is the InChIKey of (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is LVTPGWWVBUOOQC-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H11NO/c1-7-3-5(7)4-8(2)6(7)9/h5H,3-4H2,1-2H3/t5-,7-/m0/s1.
What are the key properties of (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 164674373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).