N-[(E)-but-2-enyl]oxetane-2-carboxamide

C8H13NO2 — CID 178010835

IUPACN-[(E)-but-2-enyl]oxetane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CCO1
InChIInChI=1S/C8H13NO2/c1-2-3-5-9-8(10)7-4-6-11-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyQLLFGBLVXYIWSV-NSCUHMNNSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds3

About N-[(E)-but-2-enyl]oxetane-2-carboxamide

N-[(E)-but-2-enyl]oxetane-2-carboxamide (PubChem CID 178010835) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]oxetane-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]oxetane-2-carboxamide
PubChem CID178010835
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(E)-but-2-enyl]oxetane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CCO1
InChIInChI=1S/C8H13NO2/c1-2-3-5-9-8(10)7-4-6-11-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyQLLFGBLVXYIWSV-NSCUHMNNSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-enyl]oxetane-2-carboxamide;ethane
CID 178010834
N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane
CID 178011182
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
CID 178010860
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]oxetane-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]oxetane-2-carboxamide (CID 178010835) is N-[(E)-but-2-enyl]oxetane-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]oxetane-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]oxetane-2-carboxamide is C/C=C/CNC(=O)C1CCO1.
What is the InChIKey of N-[(E)-but-2-enyl]oxetane-2-carboxamide?
The InChIKey is QLLFGBLVXYIWSV-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-5-9-8(10)7-4-6-11-7/h2-3,7H,4-6H2,1H3,(H,9,10)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]oxetane-2-carboxamide?
N-[(E)-but-2-enyl]oxetane-2-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]oxetane-2-carboxamide is sourced from PubChem (CID 178010835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).