N,N-dimethylazete-2-carboxamide

C6H8N2O — CID 20517135

IUPACN,N-dimethylazete-2-carboxamide
SMILESCN(C)C(=O)C1=NC=C1
InChIInChI=1S/C6H8N2O/c1-8(2)6(9)5-3-4-7-5/h3-4H,1-2H3
InChIKeyAPUCQYMTNZQNDR-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.04
Rot. Bonds1

About N,N-dimethylazete-2-carboxamide

N,N-dimethylazete-2-carboxamide (PubChem CID 20517135) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N,N-dimethylazete-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylazete-2-carboxamide
PubChem CID20517135
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN,N-dimethylazete-2-carboxamide
SMILESCN(C)C(=O)C1=NC=C1
InChIInChI=1S/C6H8N2O/c1-8(2)6(9)5-3-4-7-5/h3-4H,1-2H3
InChIKeyAPUCQYMTNZQNDR-UHFFFAOYSA-N
XLogP0.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazete-2-carboxamide?
The IUPAC name of N,N-dimethylazete-2-carboxamide (CID 20517135) is N,N-dimethylazete-2-carboxamide.
What is the SMILES notation for N,N-dimethylazete-2-carboxamide?
The canonical SMILES for N,N-dimethylazete-2-carboxamide is CN(C)C(=O)C1=NC=C1.
What is the InChIKey of N,N-dimethylazete-2-carboxamide?
The InChIKey is APUCQYMTNZQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8(2)6(9)5-3-4-7-5/h3-4H,1-2H3.
What are the key properties of N,N-dimethylazete-2-carboxamide?
N,N-dimethylazete-2-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazete-2-carboxamide is sourced from PubChem (CID 20517135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).