1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone

C8H14N2O — CID 165439193

IUPAC1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC2(N)C1
InChIInChI=1S/C8H14N2O/c1-6(11)10-4-7-2-3-8(7,9)5-10/h7H,2-5,9H2,1H3
InChIKeyQODXZVCYYMTNFS-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.04
Rot. Bonds

About 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone

1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone (PubChem CID 165439193) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone
PubChem CID165439193
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC2(N)C1
InChIInChI=1S/C8H14N2O/c1-6(11)10-4-7-2-3-8(7,9)5-10/h7H,2-5,9H2,1H3
InChIKeyQODXZVCYYMTNFS-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.04
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)ethanone?
The IUPAC name of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone (CID 165439193) is 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone.
What is the SMILES notation for 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone?
The canonical SMILES for 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone is CC(=O)N1CC2CCC2(N)C1.
What is the InChIKey of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone?
The InChIKey is QODXZVCYYMTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(11)10-4-7-2-3-8(7,9)5-10/h7H,2-5,9H2,1H3.
What are the key properties of 1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone?
1-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of -0.04, 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)ethanone is sourced from PubChem (CID 165439193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).