3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C8H10N2O — CID 141105153

IUPAC3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCC(=O)N1CC2C(C#N)C2C1
InChIInChI=1S/C8H10N2O/c1-5(11)10-3-7-6(2-9)8(7)4-10/h6-8H,3-4H2,1H3
InChIKeyGDEKZQJGQNARRX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.23
Rot. Bonds

About 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 141105153) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID141105153
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESCC(=O)N1CC2C(C#N)C2C1
InChIInChI=1S/C8H10N2O/c1-5(11)10-3-7-6(2-9)8(7)4-10/h6-8H,3-4H2,1H3
InChIKeyGDEKZQJGQNARRX-UHFFFAOYSA-N
XLogP0.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 67971596
tert-butyl 6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 59529950
tert-butyl (1R,5R)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 124527489
1-acetyl-4-methylpyrrolidine-3-carbonitrile
CID 155356325
4-(1-acetylazetidin-3-yl)benzonitrile
CID 123882801
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
CID 145279444
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
CID 58129263
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-acetylazepane-4-carbonitrile
CID 143511927

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 141105153) is 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is CC(=O)N1CC2C(C#N)C2C1.
What is the InChIKey of 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is GDEKZQJGQNARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5(11)10-3-7-6(2-9)8(7)4-10/h6-8H,3-4H2,1H3.
What are the key properties of 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 141105153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).