6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine

C13H23NO — CID 142434225

IUPAC6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine
SMILESC/C=C(\CC)C1=C(C)OCCN1CCC
InChIInChI=1S/C13H23NO/c1-5-8-14-9-10-15-11(4)13(14)12(6-2)7-3/h6H,5,7-10H2,1-4H3/b12-6+
InChIKeyVXGCPCMSQGWRCM-WUXMJOGZSA-N
MW209.33 g/mol
LogP3.32
Rot. Bonds4

About 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine

6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine (PubChem CID 142434225) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine
PubChem CID142434225
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine
SMILESC/C=C(\CC)C1=C(C)OCCN1CCC
InChIInChI=1S/C13H23NO/c1-5-8-14-9-10-15-11(4)13(14)12(6-2)7-3/h6H,5,7-10H2,1-4H3/b12-6+
InChIKeyVXGCPCMSQGWRCM-WUXMJOGZSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine (CID 142434225) is 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine is C/C=C(\CC)C1=C(C)OCCN1CCC.
What is the InChIKey of 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine?
The InChIKey is VXGCPCMSQGWRCM-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-14-9-10-15-11(4)13(14)12(6-2)7-3/h6H,5,7-10H2,1-4H3/b12-6+.
What are the key properties of 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine?
6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine has a molecular weight of 209.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(E)-pent-2-en-3-yl]-4-propyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 142434225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).