7,8-dihydro-4H-1,4-benzoxazine

C8H9NO — CID 173072200

IUPAC7,8-dihydro-4H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)OC=CN2
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,5-6,9H,2,4H2
InChIKeyTXANXCQWVHORRY-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.64
Rot. Bonds

About 7,8-dihydro-4H-1,4-benzoxazine

7,8-dihydro-4H-1,4-benzoxazine (PubChem CID 173072200) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 7,8-dihydro-4H-1,4-benzoxazine.

Molecular Properties

Compound Name7,8-dihydro-4H-1,4-benzoxazine
PubChem CID173072200
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name7,8-dihydro-4H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)OC=CN2
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,5-6,9H,2,4H2
InChIKeyTXANXCQWVHORRY-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-4H-1,4-benzoxazine?
The IUPAC name of 7,8-dihydro-4H-1,4-benzoxazine (CID 173072200) is 7,8-dihydro-4H-1,4-benzoxazine.
What is the SMILES notation for 7,8-dihydro-4H-1,4-benzoxazine?
The canonical SMILES for 7,8-dihydro-4H-1,4-benzoxazine is C1=CC2=C(CC1)OC=CN2.
What is the InChIKey of 7,8-dihydro-4H-1,4-benzoxazine?
The InChIKey is TXANXCQWVHORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,5-6,9H,2,4H2.
What are the key properties of 7,8-dihydro-4H-1,4-benzoxazine?
7,8-dihydro-4H-1,4-benzoxazine has a molecular weight of 135.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-4H-1,4-benzoxazine is sourced from PubChem (CID 173072200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).