7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine

C11H15NO — CID 145350584

IUPAC7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1=C(C)CC=C2NCCOC2=C1
InChIInChI=1S/C11H15NO/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4,7,12H,3,5-6H2,1-2H3
InChIKeyCULZCNOQVOXLEV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds

About 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine

7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 145350584) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID145350584
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC1=C(C)CC=C2NCCOC2=C1
InChIInChI=1S/C11H15NO/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4,7,12H,3,5-6H2,1-2H3
InChIKeyCULZCNOQVOXLEV-UHFFFAOYSA-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

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Related Compounds

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(3E)-3-[(Z)-3-bromo-2-(1-fluoroethyl)but-2-enylidene]-2-methylidenemorpholine
CID 148402126
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
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
5,6-dimethyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 89474162
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
8-Methyl-4,6-dihydrocyclohepta[b][1,4]oxazine
CID 141792199
6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 141890450
6-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 141958693
Ethane;2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
CID 142222903

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine (CID 145350584) is 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is CC1=C(C)CC=C2NCCOC2=C1.
What is the InChIKey of 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is CULZCNOQVOXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4,7,12H,3,5-6H2,1-2H3.
What are the key properties of 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine?
7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[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 7,8-dimethyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 145350584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).