1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

C13H16N2O — CID 58907313

IUPAC1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2(N)C1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-9(16)15-8-11-7-13(11,14)12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8,14H2,1H3
InChIKeyDITXESFGQVPPMD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.31
Rot. Bonds1

About 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (PubChem CID 58907313) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
PubChem CID58907313
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCC(=O)N1CC2CC2(N)C1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-9(16)15-8-11-7-13(11,14)12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8,14H2,1H3
InChIKeyDITXESFGQVPPMD-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The IUPAC name of 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (CID 58907313) is 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.
What is the SMILES notation for 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The canonical SMILES for 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is CC(=O)N1CC2CC2(N)C1c1ccccc1.
What is the InChIKey of 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The InChIKey is DITXESFGQVPPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(16)15-8-11-7-13(11,14)12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8,14H2,1H3.
What are the key properties of 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is sourced from PubChem (CID 58907313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).