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

C13H20N2O2 — CID 20523778

IUPACN,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C1=NCCCO1
InChIInChI=1S/C13H20N2O2/c1-3-5-9-15(10-6-4-2)13(16)12-14-8-7-11-17-12/h3-6H,7-11H2,1-2H3/b5-3+,6-4+
InChIKeyWYOWEGXRRUDWAQ-GGWOSOGESA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds5

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

N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523778) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523778
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C1=NCCCO1
InChIInChI=1S/C13H20N2O2/c1-3-5-9-15(10-6-4-2)13(16)12-14-8-7-11-17-12/h3-6H,7-11H2,1-2H3/b5-3+,6-4+
InChIKeyWYOWEGXRRUDWAQ-GGWOSOGESA-N
XLogP1.79
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
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,N-bis(prop-2-enyl)acetamide
CID 4338567
N,N-bis(prop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523761
N,N-bis(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523772
N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523792
N,N-diethyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523804
N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523832
N,N-bis(prop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523833
N-but-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 53768476
N,N-bis(but-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 53917348
N,N-bis(but-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 54456551
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N,N-bis(prop-2-enyl)acetamide
CID 85804234
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523778) is N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is C/C=C/CN(C/C=C/C)C(=O)C1=NCCCO1.
What is the InChIKey of N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is WYOWEGXRRUDWAQ-GGWOSOGESA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-9-15(10-6-4-2)13(16)12-14-8-7-11-17-12/h3-6H,7-11H2,1-2H3/b5-3+,6-4+.
What are the key properties of N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).