2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone

C13H17NO2 — CID 123341176

IUPAC2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone
SMILESCC1C=CC(C(=O)N2C=COCC2)=CC1C
InChIInChI=1S/C13H17NO2/c1-10-3-4-12(9-11(10)2)13(15)14-5-7-16-8-6-14/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyXGPIHRMKLWHUCT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.08
Rot. Bonds1

About 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone

2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone (PubChem CID 123341176) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone
PubChem CID123341176
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone
SMILESCC1C=CC(C(=O)N2C=COCC2)=CC1C
InChIInChI=1S/C13H17NO2/c1-10-3-4-12(9-11(10)2)13(15)14-5-7-16-8-6-14/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyXGPIHRMKLWHUCT-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone (CID 123341176) is 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone is CC1C=CC(C(=O)N2C=COCC2)=CC1C.
What is the InChIKey of 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone?
The InChIKey is XGPIHRMKLWHUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-3-4-12(9-11(10)2)13(15)14-5-7-16-8-6-14/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone?
2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-oxazin-4-yl-(3,4-dimethylcyclohexa-1,5-dien-1-yl)methanone is sourced from PubChem (CID 123341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).