2-butyl-5,6-dihydro-4H-1,3-oxazine

C8H15NO — CID 10855556

IUPAC2-butyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC1=NCCCO1
InChIInChI=1S/C8H15NO/c1-2-3-5-8-9-6-4-7-10-8/h2-7H2,1H3
InChIKeyCAVHEFPCQYKCTM-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.00
Rot. Bonds3

About 2-butyl-5,6-dihydro-4H-1,3-oxazine

2-butyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 10855556) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-butyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-butyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID10855556
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-butyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC1=NCCCO1
InChIInChI=1S/C8H15NO/c1-2-3-5-8-9-6-4-7-10-8/h2-7H2,1H3
InChIKeyCAVHEFPCQYKCTM-UHFFFAOYSA-N
XLogP2.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-butyl-5,6-dihydro-4H-1,3-oxazine (CID 10855556) is 2-butyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-butyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-butyl-5,6-dihydro-4H-1,3-oxazine is CCCCC1=NCCCO1.
What is the InChIKey of 2-butyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is CAVHEFPCQYKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-5-8-9-6-4-7-10-8/h2-7H2,1H3.
What are the key properties of 2-butyl-5,6-dihydro-4H-1,3-oxazine?
2-butyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 141.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 10855556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).