N-methylazete-2-carboxamide

C5H6N2O — CID 23164916

IUPACN-methylazete-2-carboxamide
SMILESCNC(=O)C1=NC=C1
InChIInChI=1S/C5H6N2O/c1-6-5(8)4-2-3-7-4/h2-3H,1H3,(H,6,8)
InChIKeyMCQDEQRPPWPVPH-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.30
Rot. Bonds1

About N-methylazete-2-carboxamide

N-methylazete-2-carboxamide (PubChem CID 23164916) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-methylazete-2-carboxamide.

Molecular Properties

Compound NameN-methylazete-2-carboxamide
PubChem CID23164916
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-methylazete-2-carboxamide
SMILESCNC(=O)C1=NC=C1
InChIInChI=1S/C5H6N2O/c1-6-5(8)4-2-3-7-4/h2-3H,1H3,(H,6,8)
InChIKeyMCQDEQRPPWPVPH-UHFFFAOYSA-N
XLogP-0.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylazete-2-carboxamide?
The IUPAC name of N-methylazete-2-carboxamide (CID 23164916) is N-methylazete-2-carboxamide.
What is the SMILES notation for N-methylazete-2-carboxamide?
The canonical SMILES for N-methylazete-2-carboxamide is CNC(=O)C1=NC=C1.
What is the InChIKey of N-methylazete-2-carboxamide?
The InChIKey is MCQDEQRPPWPVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-6-5(8)4-2-3-7-4/h2-3H,1H3,(H,6,8).
What are the key properties of N-methylazete-2-carboxamide?
N-methylazete-2-carboxamide has a molecular weight of 110.12 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazete-2-carboxamide is sourced from PubChem (CID 23164916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).