N-ethenylazete-2-carboxamide

C6H6N2O — CID 139628977

IUPACN-ethenylazete-2-carboxamide
SMILESC=CNC(=O)C1=NC=C1
InChIInChI=1S/C6H6N2O/c1-2-7-6(9)5-3-4-8-5/h2-4H,1H2,(H,7,9)
InChIKeyIMXGIZAOOABVKM-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.21
Rot. Bonds2

About N-ethenylazete-2-carboxamide

N-ethenylazete-2-carboxamide (PubChem CID 139628977) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is N-ethenylazete-2-carboxamide.

Molecular Properties

Compound NameN-ethenylazete-2-carboxamide
PubChem CID139628977
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC NameN-ethenylazete-2-carboxamide
SMILESC=CNC(=O)C1=NC=C1
InChIInChI=1S/C6H6N2O/c1-2-7-6(9)5-3-4-8-5/h2-4H,1H2,(H,7,9)
InChIKeyIMXGIZAOOABVKM-UHFFFAOYSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenylazete-2-carboxamide?
The IUPAC name of N-ethenylazete-2-carboxamide (CID 139628977) is N-ethenylazete-2-carboxamide.
What is the SMILES notation for N-ethenylazete-2-carboxamide?
The canonical SMILES for N-ethenylazete-2-carboxamide is C=CNC(=O)C1=NC=C1.
What is the InChIKey of N-ethenylazete-2-carboxamide?
The InChIKey is IMXGIZAOOABVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-7-6(9)5-3-4-8-5/h2-4H,1H2,(H,7,9).
What are the key properties of N-ethenylazete-2-carboxamide?
N-ethenylazete-2-carboxamide has a molecular weight of 122.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylazete-2-carboxamide is sourced from PubChem (CID 139628977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).