4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine

C11H17NO — CID 143420173

IUPAC4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
SMILESC=C/C(C)=C\C1=C(C)N(C)CCO1
InChIInChI=1S/C11H17NO/c1-5-9(2)8-11-10(3)12(4)6-7-13-11/h5,8H,1,6-7H2,2-4H3/b9-8-
InChIKeyCBWTZNADPYWHFX-HJWRWDBZSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds2

About 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine

4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine (PubChem CID 143420173) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
PubChem CID143420173
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
SMILESC=C/C(C)=C\C1=C(C)N(C)CCO1
InChIInChI=1S/C11H17NO/c1-5-9(2)8-11-10(3)12(4)6-7-13-11/h5,8H,1,6-7H2,2-4H3/b9-8-
InChIKeyCBWTZNADPYWHFX-HJWRWDBZSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
4-(2,2-Dimethylpropyl)-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 91459018
4,5-Dimethyl-6-(2-methylprop-1-enyl)-2,3-dihydro-1,4-oxazine
CID 123257206
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
CID 138531975
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
4,7,7-Trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 142096969
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
4-Propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142262038
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine (CID 143420173) is 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine is C=C/C(C)=C\C1=C(C)N(C)CCO1.
What is the InChIKey of 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine?
The InChIKey is CBWTZNADPYWHFX-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9(2)8-11-10(3)12(4)6-7-13-11/h5,8H,1,6-7H2,2-4H3/b9-8-.
What are the key properties of 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine?
4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine has a molecular weight of 179.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 143420173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).