2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone

C14H18N2O — CID 54980977

IUPAC2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
SMILESNC(C(=O)N1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-13(11-4-2-1-3-5-11)14(17)16-9-10-6-7-12(16)8-10/h1-5,10,12-13H,6-9,15H2
InChIKeyYVEFQVBRCGODBB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone

2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone (PubChem CID 54980977) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
PubChem CID54980977
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone
SMILESNC(C(=O)N1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-13(11-4-2-1-3-5-11)14(17)16-9-10-6-7-12(16)8-10/h1-5,10,12-13H,6-9,15H2
InChIKeyYVEFQVBRCGODBB-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone (CID 54980977) is 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone is NC(C(=O)N1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone?
The InChIKey is YVEFQVBRCGODBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13(11-4-2-1-3-5-11)14(17)16-9-10-6-7-12(16)8-10/h1-5,10,12-13H,6-9,15H2.
What are the key properties of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone?
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone has a molecular weight of 230.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-phenylethanone is sourced from PubChem (CID 54980977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).