N-ethylazete-2-carboxamide

C6H8N2O — CID 154494778

IUPACN-ethylazete-2-carboxamide
SMILESCCNC(=O)C1=NC=C1
InChIInChI=1S/C6H8N2O/c1-2-7-6(9)5-3-4-8-5/h3-4H,2H2,1H3,(H,7,9)
InChIKeyZRPGJWOHCHQRBK-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.09
Rot. Bonds2

About N-ethylazete-2-carboxamide

N-ethylazete-2-carboxamide (PubChem CID 154494778) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-ethylazete-2-carboxamide.

Molecular Properties

Compound NameN-ethylazete-2-carboxamide
PubChem CID154494778
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-ethylazete-2-carboxamide
SMILESCCNC(=O)C1=NC=C1
InChIInChI=1S/C6H8N2O/c1-2-7-6(9)5-3-4-8-5/h3-4H,2H2,1H3,(H,7,9)
InChIKeyZRPGJWOHCHQRBK-UHFFFAOYSA-N
XLogP0.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylazete-2-carboxamide
CID 23164916
N-prop-2-enylazete-2-carboxamide
CID 57230834
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-ethenylazete-2-carboxamide
CID 139628977
3-methylimino-1H-pyrrol-2-one
CID 141197218
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-(azetidin-3-yl)-2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 144471002
ethane;3-ethenyl-1H-pyrazin-2-one
CID 144475825
N,N-diethylazete-2-carboxamide
CID 152106042
N-[(Z)-3-iminobut-1-enyl]acetamide
CID 154006455

Frequently Asked Questions

What is the IUPAC name of N-ethylazete-2-carboxamide?
The IUPAC name of N-ethylazete-2-carboxamide (CID 154494778) is N-ethylazete-2-carboxamide.
What is the SMILES notation for N-ethylazete-2-carboxamide?
The canonical SMILES for N-ethylazete-2-carboxamide is CCNC(=O)C1=NC=C1.
What is the InChIKey of N-ethylazete-2-carboxamide?
The InChIKey is ZRPGJWOHCHQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-7-6(9)5-3-4-8-5/h3-4H,2H2,1H3,(H,7,9).
What are the key properties of N-ethylazete-2-carboxamide?
N-ethylazete-2-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylazete-2-carboxamide is sourced from PubChem (CID 154494778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).