8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one

C14H18N2O — CID 62740660

IUPAC8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCc1ccncc1
InChIInChI=1S/C14H18N2O/c17-14-9-12-1-2-13(10-14)16(12)8-5-11-3-6-15-7-4-11/h3-4,6-7,12-13H,1-2,5,8-10H2
InChIKeyVGOKHICMVJMMHC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.82
Rot. Bonds3

About 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740660) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740660
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCc1ccncc1
InChIInChI=1S/C14H18N2O/c17-14-9-12-1-2-13(10-14)16(12)8-5-11-3-6-15-7-4-11/h3-4,6-7,12-13H,1-2,5,8-10H2
InChIKeyVGOKHICMVJMMHC-UHFFFAOYSA-N
XLogP1.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62740660) is 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CCc1ccncc1.
What is the InChIKey of 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is VGOKHICMVJMMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-9-12-1-2-13(10-14)16(12)8-5-11-3-6-15-7-4-11/h3-4,6-7,12-13H,1-2,5,8-10H2.
What are the key properties of 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 230.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).