1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one

C11H20N2O — CID 165439194

IUPAC1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC2(N)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)9(14)13-6-8-4-5-11(8,12)7-13/h8H,4-7,12H2,1-3H3
InChIKeyXHTNCCKTNZAWOL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds

About 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one

1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 165439194) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one
PubChem CID165439194
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC2(N)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)9(14)13-6-8-4-5-11(8,12)7-13/h8H,4-7,12H2,1-3H3
InChIKeyXHTNCCKTNZAWOL-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one (CID 165439194) is 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2CCC2(N)C1.
What is the InChIKey of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is XHTNCCKTNZAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)9(14)13-6-8-4-5-11(8,12)7-13/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one?
1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 165439194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).