2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone

C15H19NO — CID 68543385

IUPAC2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
SMILESO=C(CNC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C15H19NO/c17-15(12-4-2-1-3-5-12)10-16-14-9-11-6-7-13(14)8-11/h1-5,11,13-14,16H,6-10H2
InChIKeyMXJMKQAPDKSLSJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone

2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone (PubChem CID 68543385) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
PubChem CID68543385
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
SMILESO=C(CNC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C15H19NO/c17-15(12-4-2-1-3-5-12)10-16-14-9-11-6-7-13(14)8-11/h1-5,11,13-14,16H,6-10H2
InChIKeyMXJMKQAPDKSLSJ-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone (CID 68543385) is 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone is O=C(CNC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone?
The InChIKey is MXJMKQAPDKSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(12-4-2-1-3-5-12)10-16-14-9-11-6-7-13(14)8-11/h1-5,11,13-14,16H,6-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone?
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone has a molecular weight of 229.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone is sourced from PubChem (CID 68543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).