7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine

C13H19NO — CID 143299396

IUPAC7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC(C)(C)C1C=CC2=C(C=C1)OCCN2
InChIInChI=1S/C13H19NO/c1-13(2,3)10-4-6-11-12(7-5-10)15-9-8-14-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyGGKKIXZDEBRRCY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.61
Rot. Bonds

About 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine

7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 143299396) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID143299396
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine
SMILESCC(C)(C)C1C=CC2=C(C=C1)OCCN2
InChIInChI=1S/C13H19NO/c1-13(2,3)10-4-6-11-12(7-5-10)15-9-8-14-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyGGKKIXZDEBRRCY-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine (CID 143299396) is 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine is CC(C)(C)C1C=CC2=C(C=C1)OCCN2.
What is the InChIKey of 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is GGKKIXZDEBRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)10-4-6-11-12(7-5-10)15-9-8-14-11/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine?
7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 205.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,3,4,7-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 143299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).