3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione

C9H12N2O3 — CID 67557020

IUPAC3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione
SMILESCN1CCc2oc(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H12N2O3/c1-10-4-3-7-6(5-10)8(12)11(2)9(13)14-7/h3-5H2,1-2H3
InChIKeyTWKMHMFAMOBZGK-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.67
Rot. Bonds

About 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione

3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione (PubChem CID 67557020) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione
PubChem CID67557020
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione
SMILESCN1CCc2oc(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H12N2O3/c1-10-4-3-7-6(5-10)8(12)11(2)9(13)14-7/h3-5H2,1-2H3
InChIKeyTWKMHMFAMOBZGK-UHFFFAOYSA-N
XLogP-0.67
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione (CID 67557020) is 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione is CN1CCc2oc(=O)n(C)c(=O)c2C1.
What is the InChIKey of 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione?
The InChIKey is TWKMHMFAMOBZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-4-3-7-6(5-10)8(12)11(2)9(13)14-7/h3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione?
3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 67557020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).