1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone

C6H10N2O — CID 156726471

IUPAC1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone
SMILESCC(=O)N1CC2NCC21
InChIInChI=1S/C6H10N2O/c1-4(9)8-3-5-6(8)2-7-5/h5-7H,2-3H2,1H3
InChIKeyPAXDVTYWULYMPP-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.81
Rot. Bonds

About 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone

1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone (PubChem CID 156726471) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone
PubChem CID156726471
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone
SMILESCC(=O)N1CC2NCC21
InChIInChI=1S/C6H10N2O/c1-4(9)8-3-5-6(8)2-7-5/h5-7H,2-3H2,1H3
InChIKeyPAXDVTYWULYMPP-UHFFFAOYSA-N
XLogP-0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one
CID 175623194
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
1-[(1S,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 124539751
tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate
CID 95396444
1-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]ethanone
CID 58488076
1-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl)ethanone
CID 126787152
1-[(3aR,8aR)-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]ethanone
CID 73440686
1-(1-acetyl-1,3,5-triazinan-2-yl)ethanone
CID 70008986
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
1-(5-methanidyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 59704487
tert-butyl (1S,5S)-2,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 97290175

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone?
The IUPAC name of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone (CID 156726471) is 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone?
The canonical SMILES for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone is CC(=O)N1CC2NCC21.
What is the InChIKey of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone?
The InChIKey is PAXDVTYWULYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(9)8-3-5-6(8)2-7-5/h5-7H,2-3H2,1H3.
What are the key properties of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone?
1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone is sourced from PubChem (CID 156726471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).