6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine

C12H17NO — CID 177363478

IUPAC6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=C=C/C(C)=C(/C)C1=C(C)OCCN1
InChIInChI=1S/C12H17NO/c1-5-6-9(2)10(3)12-11(4)14-8-7-13-12/h6,13H,1,7-8H2,2-4H3/b10-9-
InChIKeyLXCMOGHPRCGHEZ-KTKRTIGZSA-N
MW191.27 g/mol
LogP2.52
Rot. Bonds2

About 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine

6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 177363478) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID177363478
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=C=C/C(C)=C(/C)C1=C(C)OCCN1
InChIInChI=1S/C12H17NO/c1-5-6-9(2)10(3)12-11(4)14-8-7-13-12/h6,13H,1,7-8H2,2-4H3/b10-9-
InChIKeyLXCMOGHPRCGHEZ-KTKRTIGZSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine with MolForge

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Related Compounds

(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine
CID 143543633
6-Ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 146538348
Diathoxydihydro-Collidin
CID 129629331
5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine
CID 57632388
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 89041213
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
CID 118146496
5-ethyl-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 129093313
5,6-dimethyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 134526346
5-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
CID 138460333

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine (CID 177363478) is 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine is C=C=C/C(C)=C(/C)C1=C(C)OCCN1.
What is the InChIKey of 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is LXCMOGHPRCGHEZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-9(2)10(3)12-11(4)14-8-7-13-12/h6,13H,1,7-8H2,2-4H3/b10-9-.
What are the key properties of 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 191.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 177363478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).