5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one

C14H22N2O2 — CID 143587976

IUPAC5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one
SMILESC=CC1=C(/C=C\CCCNC)OC(C)(C)C(=O)N1
InChIInChI=1S/C14H22N2O2/c1-5-11-12(9-7-6-8-10-15-4)18-14(2,3)13(17)16-11/h5,7,9,15H,1,6,8,10H2,2-4H3,(H,16,17)/b9-7-
InChIKeyDJZBQRIUXCVRJT-CLFYSBASSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds6

About 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one

5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one (PubChem CID 143587976) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one.

Molecular Properties

Compound Name5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one
PubChem CID143587976
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one
SMILESC=CC1=C(/C=C\CCCNC)OC(C)(C)C(=O)N1
InChIInChI=1S/C14H22N2O2/c1-5-11-12(9-7-6-8-10-15-4)18-14(2,3)13(17)16-11/h5,7,9,15H,1,6,8,10H2,2-4H3,(H,16,17)/b9-7-
InChIKeyDJZBQRIUXCVRJT-CLFYSBASSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one?
The IUPAC name of 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one (CID 143587976) is 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one.
What is the SMILES notation for 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one?
The canonical SMILES for 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one is C=CC1=C(/C=C\CCCNC)OC(C)(C)C(=O)N1.
What is the InChIKey of 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one?
The InChIKey is DJZBQRIUXCVRJT-CLFYSBASSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11-12(9-7-6-8-10-15-4)18-14(2,3)13(17)16-11/h5,7,9,15H,1,6,8,10H2,2-4H3,(H,16,17)/b9-7-.
What are the key properties of 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one?
5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one has a molecular weight of 250.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one is sourced from PubChem (CID 143587976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).