2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

C10H16N2O2 — CID 162762226

IUPAC2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCC(=O)N1CC2CC1(C(=O)N(C)C)C2
InChIInChI=1S/C10H16N2O2/c1-7(13)12-6-8-4-10(12,5-8)9(14)11(2)3/h8H,4-6H2,1-3H3
InChIKeyKTOFGYSVDVYYRG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.09
Rot. Bonds1

About 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 162762226) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
PubChem CID162762226
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCC(=O)N1CC2CC1(C(=O)N(C)C)C2
InChIInChI=1S/C10H16N2O2/c1-7(13)12-6-8-4-10(12,5-8)9(14)11(2)3/h8H,4-6H2,1-3H3
InChIKeyKTOFGYSVDVYYRG-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (CID 162762226) is 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is CC(=O)N1CC2CC1(C(=O)N(C)C)C2.
What is the InChIKey of 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is KTOFGYSVDVYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(13)12-6-8-4-10(12,5-8)9(14)11(2)3/h8H,4-6H2,1-3H3.
What are the key properties of 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 162762226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).