2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide

C13H20N2O2 — CID 114199694

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OC1CC2CCC(C1)N2
InChIInChI=1S/C13H20N2O2/c1-3-6-14-13(16)9(2)17-12-7-10-4-5-11(8-12)15-10/h1,9-12,15H,4-8H2,2H3,(H,14,16)
InChIKeyFVXPWNICRXSOAM-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.42
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide

2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide (PubChem CID 114199694) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide
PubChem CID114199694
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OC1CC2CCC(C1)N2
InChIInChI=1S/C13H20N2O2/c1-3-6-14-13(16)9(2)17-12-7-10-4-5-11(8-12)15-10/h1,9-12,15H,4-8H2,2H3,(H,14,16)
InChIKeyFVXPWNICRXSOAM-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide (CID 114199694) is 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)OC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide?
The InChIKey is FVXPWNICRXSOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-14-13(16)9(2)17-12-7-10-4-5-11(8-12)15-10/h1,9-12,15H,4-8H2,2H3,(H,14,16).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide?
2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114199694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).