N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C8H12N2O2 — CID 20523801

IUPACN-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC=CCNC(=O)C1=NCCCO1
InChIInChI=1S/C8H12N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2H,1,3-6H2,(H,9,11)
InChIKeyMPKXGCULLJNBHI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.11
Rot. Bonds3

About N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523801) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523801
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC=CCNC(=O)C1=NCCCO1
InChIInChI=1S/C8H12N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2H,1,3-6H2,(H,9,11)
InChIKeyMPKXGCULLJNBHI-UHFFFAOYSA-N
XLogP0.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.11
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-[(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-(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
2-[2-Oxo-2-(prop-2-enylamino)ethoxy]acetamide
CID 89440730
N-[(E)-but-2-enyl]-2-ethoxyacetamide
CID 178009985
N-prop-2-enyl-2-[2-(propylamino)ethoxy]acetamide
CID 62335937
2-[2-(ethylamino)ethoxy]-N-prop-2-enylacetamide
CID 62336487

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523801) is N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is C=CCNC(=O)C1=NCCCO1.
What is the InChIKey of N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is MPKXGCULLJNBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-4-9-7(11)8-10-5-3-6-12-8/h2H,1,3-6H2,(H,9,11).
What are the key properties of N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).