1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one

C15H20N2O — CID 67366696

IUPAC1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(c3ccccc3N)C2C1
InChIInChI=1S/C15H20N2O/c1-2-15(18)17-8-10-7-12(13(10)9-17)11-5-3-4-6-14(11)16/h3-6,10,12-13H,2,7-9,16H2,1H3
InChIKeyZJWDIUPBMJPDKC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.24
Rot. Bonds2

About 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one

1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one (PubChem CID 67366696) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one
PubChem CID67366696
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(c3ccccc3N)C2C1
InChIInChI=1S/C15H20N2O/c1-2-15(18)17-8-10-7-12(13(10)9-17)11-5-3-4-6-14(11)16/h3-6,10,12-13H,2,7-9,16H2,1H3
InChIKeyZJWDIUPBMJPDKC-UHFFFAOYSA-N
XLogP2.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The IUPAC name of 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one (CID 67366696) is 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one is CCC(=O)N1CC2CC(c3ccccc3N)C2C1.
What is the InChIKey of 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one?
The InChIKey is ZJWDIUPBMJPDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(18)17-8-10-7-12(13(10)9-17)11-5-3-4-6-14(11)16/h3-6,10,12-13H,2,7-9,16H2,1H3.
What are the key properties of 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one?
1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]propan-1-one is sourced from PubChem (CID 67366696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).