N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide

C12H20N2O — CID 89108250

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide
SMILESC=CCC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C12H20N2O/c1-3-4-12(15)13-9-7-10-5-6-11(8-9)14(10)2/h3,9-11H,1,4-8H2,2H3,(H,13,15)
InChIKeyYWQYXIGSGQSKCG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.30
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide (PubChem CID 89108250) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide
PubChem CID89108250
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide
SMILESC=CCC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C12H20N2O/c1-3-4-12(15)13-9-7-10-5-6-11(8-9)14(10)2/h3,9-11H,1,4-8H2,2H3,(H,13,15)
InChIKeyYWQYXIGSGQSKCG-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.30
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-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide (CID 89108250) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide is C=CCC(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide?
The InChIKey is YWQYXIGSGQSKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-12(15)13-9-7-10-5-6-11(8-9)14(10)2/h3,9-11H,1,4-8H2,2H3,(H,13,15).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide has a molecular weight of 208.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enamide is sourced from PubChem (CID 89108250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).