5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine

C12H19NO — CID 89468903

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESC=C/C=C\C1=C(C)OCCN1C(C)C
InChIInChI=1S/C12H19NO/c1-5-6-7-12-11(4)14-9-8-13(12)10(2)3/h5-7,10H,1,8-9H2,2-4H3/b7-6-
InChIKeyOHPKJJHBLQNQHE-SREVYHEPSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine

5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine (PubChem CID 89468903) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
PubChem CID89468903
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine
SMILESC=C/C=C\C1=C(C)OCCN1C(C)C
InChIInChI=1S/C12H19NO/c1-5-6-7-12-11(4)14-9-8-13(12)10(2)3/h5-7,10H,1,8-9H2,2-4H3/b7-6-
InChIKeyOHPKJJHBLQNQHE-SREVYHEPSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine (CID 89468903) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine is C=C/C=C\C1=C(C)OCCN1C(C)C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
The InChIKey is OHPKJJHBLQNQHE-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-6-7-12-11(4)14-9-8-13(12)10(2)3/h5-7,10H,1,8-9H2,2-4H3/b7-6-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine has a molecular weight of 193.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 89468903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).