(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine

C11H15NO — CID 142992621

IUPAC(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine
SMILESC/C1=C2\NCCO\C2=C\C=C/CC1
InChIInChI=1S/C11H15NO/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+
InChIKeyJEULYXUZVSVMHQ-WRSJRZCCSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds

About (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine

(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine (PubChem CID 142992621) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine
PubChem CID142992621
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine
SMILESC/C1=C2\NCCO\C2=C\C=C/CC1
InChIInChI=1S/C11H15NO/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+
InChIKeyJEULYXUZVSVMHQ-WRSJRZCCSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine with MolForge

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Related Compounds

(3Z)-3-(1-fluoro-2-methylprop-2-enylidene)-2-methylidenemorpholine
CID 144959959
3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 57902506
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
5,6-dimethyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 89474162
1,2,3,5,6,7-Hexahydro-4,1-benzoxazepine
CID 130295915
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
6-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 138527721
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 141890450

Frequently Asked Questions

What is the IUPAC name of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine?
The IUPAC name of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine (CID 142992621) is (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine.
What is the SMILES notation for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine?
The canonical SMILES for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine is C/C1=C2\NCCO\C2=C\C=C/CC1.
What is the InChIKey of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine?
The InChIKey is JEULYXUZVSVMHQ-WRSJRZCCSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-5-3-2-4-6-10-11(9)12-7-8-13-10/h2,4,6,12H,3,5,7-8H2,1H3/b4-2-,10-6+,11-9+.
What are the key properties of (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine?
(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine has a molecular weight of 177.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine is sourced from PubChem (CID 142992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).