1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone

C8H13NO — CID 142076983

IUPAC1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
SMILESCC(=O)[C@@H]1CC2C[C@H]2CN1
InChIInChI=1S/C8H13NO/c1-5(10)8-3-6-2-7(6)4-9-8/h6-9H,2-4H2,1H3/t6?,7-,8-/m0/s1
InChIKeyFXGAKGLANYOXNL-ALKRTJFJSA-N
MW139.20 g/mol
LogP0.57
Rot. Bonds1

About 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone

1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone (PubChem CID 142076983) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
PubChem CID142076983
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
SMILESCC(=O)[C@@H]1CC2C[C@H]2CN1
InChIInChI=1S/C8H13NO/c1-5(10)8-3-6-2-7(6)4-9-8/h6-9H,2-4H2,1H3/t6?,7-,8-/m0/s1
InChIKeyFXGAKGLANYOXNL-ALKRTJFJSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone with MolForge

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Related Compounds

2-Cyclopropylpiperidin-4-one
CID 75132311
1-[(4R)-3-azabicyclo[4.1.0]heptan-4-yl]-2,2,2-trifluoroethanone
CID 166591306
1-(3-Methyl-3-azabicyclo[4.1.0]heptan-4-yl)ethanone
CID 20613029
2-Methyl-1-(piperidin-2-yl)propan-1-one
CID 21338996
1-Cyclopropyl-2-(piperidin-2-yl)propan-1-one
CID 21429289
2-Methyl-1-(6-methylpiperidin-2-yl)butan-1-one
CID 22620154
2-Methyl-1-(6-methylpiperidin-2-yl)butan-1-one;hydrochloride
CID 22620210
2-Methyl-6-propan-2-ylpiperidin-3-one
CID 22623664
1-Cyclopropyl-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 22893158
1-Cyclopropyl-3-piperidin-2-ylpropan-1-one
CID 54090818
1-(3-Methylpiperidin-2-yl)ethanone
CID 54775356
6-Azabicyclo[3.2.2]nonan-8-one
CID 57059547

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone?
The IUPAC name of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone (CID 142076983) is 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone.
What is the SMILES notation for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone?
The canonical SMILES for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone is CC(=O)[C@@H]1CC2C[C@H]2CN1.
What is the InChIKey of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone?
The InChIKey is FXGAKGLANYOXNL-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H13NO/c1-5(10)8-3-6-2-7(6)4-9-8/h6-9H,2-4H2,1H3/t6?,7-,8-/m0/s1.
What are the key properties of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone?
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone is sourced from PubChem (CID 142076983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).