phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate

C15H19NO2 — CID 170173348

IUPACphenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
SMILESO=C(NC12CCC(CC1)CC2)Oc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(18-13-4-2-1-3-5-13)16-15-9-6-12(7-10-15)8-11-15/h1-5,12H,6-11H2,(H,16,17)
InChIKeyWUPCMDHRZYNFFD-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.50
Rot. Bonds2

About phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate

phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate (PubChem CID 170173348) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
PubChem CID170173348
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namephenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
SMILESO=C(NC12CCC(CC1)CC2)Oc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(18-13-4-2-1-3-5-13)16-15-9-6-12(7-10-15)8-11-15/h1-5,12H,6-11H2,(H,16,17)
InChIKeyWUPCMDHRZYNFFD-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate?
The IUPAC name of phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate (CID 170173348) is phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate.
What is the SMILES notation for phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate?
The canonical SMILES for phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate is O=C(NC12CCC(CC1)CC2)Oc1ccccc1.
What is the InChIKey of phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate?
The InChIKey is WUPCMDHRZYNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18-13-4-2-1-3-5-13)16-15-9-6-12(7-10-15)8-11-15/h1-5,12H,6-11H2,(H,16,17).
What are the key properties of phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate?
phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate is sourced from PubChem (CID 170173348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).