2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one

C9H16N2O — CID 130734923

IUPAC2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
SMILESCC(N)C(=O)N1CC2CCCC21
InChIInChI=1S/C9H16N2O/c1-6(10)9(12)11-5-7-3-2-4-8(7)11/h6-8H,2-5,10H2,1H3
InChIKeyBSLCBLZHOVLAQW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.34
Rot. Bonds1

About 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one

2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one (PubChem CID 130734923) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
PubChem CID130734923
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
SMILESCC(N)C(=O)N1CC2CCCC21
InChIInChI=1S/C9H16N2O/c1-6(10)9(12)11-5-7-3-2-4-8(7)11/h6-8H,2-5,10H2,1H3
InChIKeyBSLCBLZHOVLAQW-UHFFFAOYSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one (CID 130734923) is 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one is CC(N)C(=O)N1CC2CCCC21.
What is the InChIKey of 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one?
The InChIKey is BSLCBLZHOVLAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(10)9(12)11-5-7-3-2-4-8(7)11/h6-8H,2-5,10H2,1H3.
What are the key properties of 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one?
2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one is sourced from PubChem (CID 130734923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).