N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide

C14H22N2O — CID 40776851

IUPACN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CC1
InChIInChI=1S/C14H22N2O/c1-2-10-9-16-6-5-12(10)7-13(16)8-15-14(17)11-3-4-11/h2,10-13H,1,3-9H2,(H,15,17)/t10-,12-,13+/m0/s1
InChIKeyAIRDILMLGBQPGE-WCFLWFBJSA-N
MW234.34 g/mol
LogP1.41
Rot. Bonds4

About N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 40776851) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID40776851
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CC1
InChIInChI=1S/C14H22N2O/c1-2-10-9-16-6-5-12(10)7-13(16)8-15-14(17)11-3-4-11/h2,10-13H,1,3-9H2,(H,15,17)/t10-,12-,13+/m0/s1
InChIKeyAIRDILMLGBQPGE-WCFLWFBJSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide (CID 40776851) is N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide is C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CC1.
What is the InChIKey of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is AIRDILMLGBQPGE-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-10-9-16-6-5-12(10)7-13(16)8-15-14(17)11-3-4-11/h2,10-13H,1,3-9H2,(H,15,17)/t10-,12-,13+/m0/s1.
What are the key properties of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 40776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).