N,N-dimethylazetidine-3-carboxamide

C6H12N2O — CID 53308703

IUPACN,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CNC1
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3
InChIKeyWFIFISZIQCYPCA-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.71
Rot. Bonds1

About N,N-dimethylazetidine-3-carboxamide

N,N-dimethylazetidine-3-carboxamide (PubChem CID 53308703) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethylazetidine-3-carboxamide
PubChem CID53308703
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CNC1
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3
InChIKeyWFIFISZIQCYPCA-UHFFFAOYSA-N
XLogP-0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of N,N-dimethylazetidine-3-carboxamide (CID 53308703) is N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for N,N-dimethylazetidine-3-carboxamide is CN(C)C(=O)C1CNC1.
What is the InChIKey of N,N-dimethylazetidine-3-carboxamide?
The InChIKey is WFIFISZIQCYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8(2)6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3.
What are the key properties of N,N-dimethylazetidine-3-carboxamide?
N,N-dimethylazetidine-3-carboxamide has a molecular weight of 128.17 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 53308703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).