5,6,7,8-tetrahydro-2H-3,1-benzoxazine

C8H11NO — CID 91362032

IUPAC5,6,7,8-tetrahydro-2H-3,1-benzoxazine
SMILESC1=C2CCCCC2=NCO1
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-10-6-9-8/h5H,1-4,6H2
InChIKeyRIUHQPLGKXOJNS-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.87
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-3,1-benzoxazine

5,6,7,8-tetrahydro-2H-3,1-benzoxazine (PubChem CID 91362032) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-3,1-benzoxazine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-3,1-benzoxazine
PubChem CID91362032
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5,6,7,8-tetrahydro-2H-3,1-benzoxazine
SMILESC1=C2CCCCC2=NCO1
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-10-6-9-8/h5H,1-4,6H2
InChIKeyRIUHQPLGKXOJNS-UHFFFAOYSA-N
XLogP1.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-3,1-benzoxazine?
The IUPAC name of 5,6,7,8-tetrahydro-2H-3,1-benzoxazine (CID 91362032) is 5,6,7,8-tetrahydro-2H-3,1-benzoxazine.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-3,1-benzoxazine?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-3,1-benzoxazine is C1=C2CCCCC2=NCO1.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-3,1-benzoxazine?
The InChIKey is RIUHQPLGKXOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-10-6-9-8/h5H,1-4,6H2.
What are the key properties of 5,6,7,8-tetrahydro-2H-3,1-benzoxazine?
5,6,7,8-tetrahydro-2H-3,1-benzoxazine has a molecular weight of 137.18 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-3,1-benzoxazine is sourced from PubChem (CID 91362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).