1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one

C20H23NO — CID 18756312

IUPAC1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one
SMILESCCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2
InChIInChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3
InChIKeyOLNNUDMXMOFMLE-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one

1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one (PubChem CID 18756312) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one
PubChem CID18756312
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one
SMILESCCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2
InChIInChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3
InChIKeyOLNNUDMXMOFMLE-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one?
The IUPAC name of 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one (CID 18756312) is 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one is CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2.
What is the InChIKey of 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one?
The InChIKey is OLNNUDMXMOFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3.
What are the key properties of 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one?
1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl)propan-1-one is sourced from PubChem (CID 18756312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).