(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one

C8H14N2O — CID 129449822

IUPAC(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one
SMILESC[C@@H]1N[C@]2(C)C(=O)N(C)[C@]12C
InChIInChI=1S/C8H14N2O/c1-5-8(3)7(2,9-5)6(11)10(8)4/h5,9H,1-4H3/t5-,7+,8+/m0/s1
InChIKeyDOKNWQNHVUKYBY-UIISKDMLSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

About (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one

(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one (PubChem CID 129449822) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one.

Molecular Properties

Compound Name(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one
PubChem CID129449822
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one
SMILESC[C@@H]1N[C@]2(C)C(=O)N(C)[C@]12C
InChIInChI=1S/C8H14N2O/c1-5-8(3)7(2,9-5)6(11)10(8)4/h5,9H,1-4H3/t5-,7+,8+/m0/s1
InChIKeyDOKNWQNHVUKYBY-UIISKDMLSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one?
The IUPAC name of (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one (CID 129449822) is (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one.
What is the SMILES notation for (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one?
The canonical SMILES for (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one is C[C@@H]1N[C@]2(C)C(=O)N(C)[C@]12C.
What is the InChIKey of (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one?
The InChIKey is DOKNWQNHVUKYBY-UIISKDMLSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-8(3)7(2,9-5)6(11)10(8)4/h5,9H,1-4H3/t5-,7+,8+/m0/s1.
What are the key properties of (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one?
(1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-1,2,4,6-tetramethyl-2,5-diazabicyclo[2.2.0]hexan-3-one is sourced from PubChem (CID 129449822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).