N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide

C12H19N3O — CID 162481907

IUPACN-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC12CCC1CN(C#N)C2
InChIInChI=1S/C12H19N3O/c1-11(2,3)10(16)14-12-5-4-9(12)6-15(7-12)8-13/h9H,4-7H2,1-3H3,(H,14,16)
InChIKeyVWSNUPIOLGVJPN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds1

About N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide

N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide (PubChem CID 162481907) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide
PubChem CID162481907
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC12CCC1CN(C#N)C2
InChIInChI=1S/C12H19N3O/c1-11(2,3)10(16)14-12-5-4-9(12)6-15(7-12)8-13/h9H,4-7H2,1-3H3,(H,14,16)
InChIKeyVWSNUPIOLGVJPN-UHFFFAOYSA-N
XLogP1.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide (CID 162481907) is N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC12CCC1CN(C#N)C2.
What is the InChIKey of N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide?
The InChIKey is VWSNUPIOLGVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(2,3)10(16)14-12-5-4-9(12)6-15(7-12)8-13/h9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide?
N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-3-azabicyclo[3.2.0]heptan-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 162481907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).