(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one

C8H13NO — CID 10486920

IUPAC(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C[C@@H]2[C@H](C1=O)C2(C)C
InChIInChI=1S/C8H13NO/c1-8(2)5-4-9(3)7(10)6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyRIKGRGQOTPGYRV-PHDIDXHHSA-N
MW139.20 g/mol
LogP0.73
Rot. Bonds

About (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one

(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 10486920) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID10486920
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C[C@@H]2[C@H](C1=O)C2(C)C
InChIInChI=1S/C8H13NO/c1-8(2)5-4-9(3)7(10)6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyRIKGRGQOTPGYRV-PHDIDXHHSA-N
XLogP0.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one (CID 10486920) is (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one is CN1C[C@@H]2[C@H](C1=O)C2(C)C.
What is the InChIKey of (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is RIKGRGQOTPGYRV-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)5-4-9(3)7(10)6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10486920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).