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

C12H17NO — CID 130413521

IUPAC6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(/C=C\C)CN(C)CO1
InChIInChI=1S/C12H17NO/c1-4-6-8-12-11(7-5-2)9-13(3)10-14-12/h4-8H,1,9-10H2,2-3H3/b7-5-,8-6-
InChIKeyQIKOYVWACQZNRW-SFECMWDFSA-N
MW191.27 g/mol
LogP2.48
Rot. Bonds3

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

6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (PubChem CID 130413521) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
PubChem CID130413521
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(/C=C\C)CN(C)CO1
InChIInChI=1S/C12H17NO/c1-4-6-8-12-11(7-5-2)9-13(3)10-14-12/h4-8H,1,9-10H2,2-3H3/b7-5-,8-6-
InChIKeyQIKOYVWACQZNRW-SFECMWDFSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.48
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 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (CID 130413521) is 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is C=C/C=C\C1=C(/C=C\C)CN(C)CO1.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The InChIKey is QIKOYVWACQZNRW-SFECMWDFSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-8-12-11(7-5-2)9-13(3)10-14-12/h4-8H,1,9-10H2,2-3H3/b7-5-,8-6-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine has a molecular weight of 191.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 130413521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).