N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C9H14N2O2 — CID 20523832

IUPACN-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC/C=C/CNC(=O)C1=NCCCO1
InChIInChI=1S/C9H14N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+
InChIKeyDMYPJJSAFNQHAR-NSCUHMNNSA-N
MW182.22 g/mol
LogP0.50
Rot. Bonds3

About N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523832) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523832
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC/C=C/CNC(=O)C1=NCCCO1
InChIInChI=1S/C9H14N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+
InChIKeyDMYPJJSAFNQHAR-NSCUHMNNSA-N
XLogP0.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-prop-2-enylacetamide
CID 17780821
N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523754
N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523764
N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523778
N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523801
N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523849
N-but-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 53768476
N-but-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 54369359
N,N-bis(but-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 54456551
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
N-but-2-enyl-2-methoxyacetamide
CID 72618261
2-[2-Oxo-2-(prop-2-enylamino)ethoxy]acetamide
CID 89440730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523832) is N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is C/C=C/CNC(=O)C1=NCCCO1.
What is the InChIKey of N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is DMYPJJSAFNQHAR-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).