5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine

C9H17NO — CID 129093313

IUPAC5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCC1=C(C(C)C)OCCN1
InChIInChI=1S/C9H17NO/c1-4-8-9(7(2)3)11-6-5-10-8/h7,10H,4-6H2,1-3H3
InChIKeyHDWIEZGLHWBCPD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.88
Rot. Bonds2

About 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine

5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 129093313) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
PubChem CID129093313
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCC1=C(C(C)C)OCCN1
InChIInChI=1S/C9H17NO/c1-4-8-9(7(2)3)11-6-5-10-8/h7,10H,4-6H2,1-3H3
InChIKeyHDWIEZGLHWBCPD-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine (CID 129093313) is 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine is CCC1=C(C(C)C)OCCN1.
What is the InChIKey of 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is HDWIEZGLHWBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8-9(7(2)3)11-6-5-10-8/h7,10H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine?
5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 129093313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).