4-methyl-6-propan-2-yl-4H-1,3-oxazine

C8H13NO — CID 142375066

IUPAC4-methyl-6-propan-2-yl-4H-1,3-oxazine
SMILESCC1C=C(C(C)C)OC=N1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3
InChIKeyKWKVFCIXVOXPNL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.97
Rot. Bonds1

About 4-methyl-6-propan-2-yl-4H-1,3-oxazine

4-methyl-6-propan-2-yl-4H-1,3-oxazine (PubChem CID 142375066) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-4H-1,3-oxazine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-4H-1,3-oxazine
PubChem CID142375066
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-methyl-6-propan-2-yl-4H-1,3-oxazine
SMILESCC1C=C(C(C)C)OC=N1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3
InChIKeyKWKVFCIXVOXPNL-UHFFFAOYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-oxazine?
The IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-oxazine (CID 142375066) is 4-methyl-6-propan-2-yl-4H-1,3-oxazine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-4H-1,3-oxazine?
The canonical SMILES for 4-methyl-6-propan-2-yl-4H-1,3-oxazine is CC1C=C(C(C)C)OC=N1.
What is the InChIKey of 4-methyl-6-propan-2-yl-4H-1,3-oxazine?
The InChIKey is KWKVFCIXVOXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-4H-1,3-oxazine?
4-methyl-6-propan-2-yl-4H-1,3-oxazine has a molecular weight of 139.20 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-4H-1,3-oxazine is sourced from PubChem (CID 142375066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).