2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one

C15H18ClNO — CID 54980584

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N1CC2CCC1C2
InChIInChI=1S/C15H18ClNO/c1-10(17-9-11-5-6-14(17)7-11)15(18)12-3-2-4-13(16)8-12/h2-4,8,10-11,14H,5-7,9H2,1H3
InChIKeyDJHMBXGAJKVWQL-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.40
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one

2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one (PubChem CID 54980584) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one
PubChem CID54980584
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N1CC2CCC1C2
InChIInChI=1S/C15H18ClNO/c1-10(17-9-11-5-6-14(17)7-11)15(18)12-3-2-4-13(16)8-12/h2-4,8,10-11,14H,5-7,9H2,1H3
InChIKeyDJHMBXGAJKVWQL-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one (CID 54980584) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one is CC(C(=O)c1cccc(Cl)c1)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one?
The InChIKey is DJHMBXGAJKVWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10(17-9-11-5-6-14(17)7-11)15(18)12-3-2-4-13(16)8-12/h2-4,8,10-11,14H,5-7,9H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one has a molecular weight of 263.77 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 54980584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).