4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane

C8H15NO2 — CID 145281201

IUPAC4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane
SMILESCC.CC1=C(C)NC(=O)OC1
InChIInChI=1S/C6H9NO2.C2H6/c1-4-3-9-6(8)7-5(4)2;1-2/h3H2,1-2H3,(H,7,8);1-2H3
InChIKeySPQVHPITEZXKFW-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.05
Rot. Bonds

About 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane

4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane (PubChem CID 145281201) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane.

Molecular Properties

Compound Name4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane
PubChem CID145281201
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane
SMILESCC.CC1=C(C)NC(=O)OC1
InChIInChI=1S/C6H9NO2.C2H6/c1-4-3-9-6(8)7-5(4)2;1-2/h3H2,1-2H3,(H,7,8);1-2H3
InChIKeySPQVHPITEZXKFW-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane?
The IUPAC name of 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane (CID 145281201) is 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane.
What is the SMILES notation for 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane?
The canonical SMILES for 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane is CC.CC1=C(C)NC(=O)OC1.
What is the InChIKey of 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane?
The InChIKey is SPQVHPITEZXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C2H6/c1-4-3-9-6(8)7-5(4)2;1-2/h3H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane?
4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane has a molecular weight of 157.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,6-dihydro-1,3-oxazin-2-one;ethane is sourced from PubChem (CID 145281201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).