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

C9H13NO — CID 139544144

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=C/C=C\C1=C(C)OCCN1
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,1,6-7H2,2H3/b5-4-
InChIKeySBEZUBNMIBAWBX-PLNGDYQASA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds2

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

5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 139544144) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
PubChem CID139544144
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=C/C=C\C1=C(C)OCCN1
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,1,6-7H2,2H3/b5-4-
InChIKeySBEZUBNMIBAWBX-PLNGDYQASA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine (CID 139544144) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine is C=C/C=C\C1=C(C)OCCN1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is SBEZUBNMIBAWBX-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,1,6-7H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 151.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 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-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 139544144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).