2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine

C9H11NO — CID 142003855

IUPAC2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine
SMILESC1=CCC2=C(C=C1)OCCN2
InChIInChI=1S/C9H11NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-3,5,10H,4,6-7H2
InChIKeyMKYOBKUJMDYNGT-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.33
Rot. Bonds

About 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine

2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 142003855) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID142003855
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine
SMILESC1=CCC2=C(C=C1)OCCN2
InChIInChI=1S/C9H11NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-3,5,10H,4,6-7H2
InChIKeyMKYOBKUJMDYNGT-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine (CID 142003855) is 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine is C1=CCC2=C(C=C1)OCCN2.
What is the InChIKey of 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is MKYOBKUJMDYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-3,5,10H,4,6-7H2.
What are the key properties of 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine?
2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 149.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 142003855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).