8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C14H16ClNO — CID 11959663

IUPAC8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-13H,5-9H2
InChIKeyGBQPILLSGRPDNT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.04
Rot. Bonds2

About 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 11959663) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID11959663
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-13H,5-9H2
InChIKeyGBQPILLSGRPDNT-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 11959663) is 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is GBQPILLSGRPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-13H,5-9H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 249.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11959663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).