5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine

C8H15NO — CID 123989112

IUPAC5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=COCCN1C(C)C
InChIInChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKQXCQJJLRAYJGB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.59
Rot. Bonds1

About 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine

5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine (PubChem CID 123989112) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
PubChem CID123989112
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESCC1=COCCN1C(C)C
InChIInChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKQXCQJJLRAYJGB-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine (CID 123989112) is 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine is CC1=COCCN1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The InChIKey is KQXCQJJLRAYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine has a molecular weight of 141.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 123989112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).