1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone

C9H15NO — CID 134257488

IUPAC1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]2[C@H](C)[C@@H]2N1C
InChIInChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1
InChIKeyYMTRYODVOPMEHK-VHKYIWFCSA-N
MW153.22 g/mol
LogP0.91
Rot. Bonds1

About 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone

1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 134257488) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID134257488
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H]2[C@H](C)[C@@H]2N1C
InChIInChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1
InChIKeyYMTRYODVOPMEHK-VHKYIWFCSA-N
XLogP0.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 134257488) is 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone is CC(=O)[C@@H]1C[C@@H]2[C@H](C)[C@@H]2N1C.
What is the InChIKey of 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is YMTRYODVOPMEHK-VHKYIWFCSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7-4-8(6(2)11)10(3)9(5)7/h5,7-9H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1.
What are the key properties of 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone?
1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S,5R,6S)-2,6-dimethyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 134257488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).