N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C9H14N2O2 — CID 20523849

IUPACN-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC=C(C)CNC(=O)C1=NCCCO1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-11-8(12)9-10-4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyRLRGRFXSTWHMGU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.50
Rot. Bonds3

About N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523849) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523849
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESC=C(C)CNC(=O)C1=NCCCO1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-11-8(12)9-10-4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyRLRGRFXSTWHMGU-UHFFFAOYSA-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'}

Analyze N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523772
N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523801
N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523829
N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523832
N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523836
N-but-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 53768476
4-[2-(Methylaminomethyl)prop-2-enyl]morpholine-3,5-dione
CID 103072088
4-[2-(Methylaminomethyl)prop-2-enyl]morpholin-3-one
CID 103072694
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
2-(2-aminoethoxy)-N-(2-methylprop-2-enyl)acetamide
CID 114617027
2-ethoxy-N-(2-methylprop-2-enyl)acetamide
CID 114618787

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523849) is N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-(2-methylprop-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-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is RLRGRFXSTWHMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)6-11-8(12)9-10-4-3-5-13-9/h1,3-6H2,2H3,(H,11,12).
What are the key properties of N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-(2-methylprop-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-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).