1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one

C11H20N2O2 — CID 175623194

IUPAC1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C)(C)C(=O)N1CC2NCC21
InChIInChI=1S/C11H20N2O2/c1-7(2)15-11(3,4)10(14)13-6-8-9(13)5-12-8/h7-9,12H,5-6H2,1-4H3
InChIKeyZTGRUZJMRBMMRE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds3

About 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one

1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one (PubChem CID 175623194) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one
PubChem CID175623194
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one
SMILESCC(C)OC(C)(C)C(=O)N1CC2NCC21
InChIInChI=1S/C11H20N2O2/c1-7(2)15-11(3,4)10(14)13-6-8-9(13)5-12-8/h7-9,12H,5-6H2,1-4H3
InChIKeyZTGRUZJMRBMMRE-UHFFFAOYSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone
CID 156726471
tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate
CID 95396444
tert-butyl (1S,5S)-2,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 97290175
tert-butyl (1S,5R)-4,4-difluoro-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 97290179
tert-butyl (1S,6S)-2,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 97110879
2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
CID 103019292
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
CID 82249015
propan-2-yl 1-acetylaziridine-2-carboxylate
CID 45085775
(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 176728506
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The IUPAC name of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one (CID 175623194) is 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one is CC(C)OC(C)(C)C(=O)N1CC2NCC21.
What is the InChIKey of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
The InChIKey is ZTGRUZJMRBMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)15-11(3,4)10(14)13-6-8-9(13)5-12-8/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one?
1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)-2-methyl-2-propan-2-yloxypropan-1-one is sourced from PubChem (CID 175623194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).