5,8-dihydro-2H-3,1-benzoxazine

C8H9NO — CID 91804282

IUPAC5,8-dihydro-2H-3,1-benzoxazine
SMILESC1=CCC2=NCOC=C2C1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1-2,5H,3-4,6H2
InChIKeyBMEBXUCZDSVVAJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.65
Rot. Bonds

About 5,8-dihydro-2H-3,1-benzoxazine

5,8-dihydro-2H-3,1-benzoxazine (PubChem CID 91804282) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 5,8-dihydro-2H-3,1-benzoxazine.

Molecular Properties

Compound Name5,8-dihydro-2H-3,1-benzoxazine
PubChem CID91804282
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name5,8-dihydro-2H-3,1-benzoxazine
SMILESC1=CCC2=NCOC=C2C1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1-2,5H,3-4,6H2
InChIKeyBMEBXUCZDSVVAJ-UHFFFAOYSA-N
XLogP1.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-3,1-Benzoxazine
CID 18354516
3,1-Benzooxazine hydrochloride
CID 68804172
7-fluoro-8-methyl-2H-3,1-benzoxazine
CID 175783498
3,1-Benzoxazine hydrobromide
CID 129814186
2H-pyrano[4,3-b]pyridine
CID 53748939
iridium;4-phenyl-2H-1,3-oxazine
CID 58983204
6-Pentyl-3,1-benzoxazine-2-thione
CID 87785143
7,8-dihydro-2H-3,1-benzoxazine
CID 91238304
5,6,7,8-tetrahydro-2H-3,1-benzoxazine
CID 91362032
7,8-dihydro-2H-pyrano[4,3-b]pyridine
CID 132209561
2H-benzo[g][3,1]benzoxazine
CID 139617827
2-methyl-2H-3,1-benzoxazine
CID 141199065

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydro-2H-3,1-benzoxazine?
The IUPAC name of 5,8-dihydro-2H-3,1-benzoxazine (CID 91804282) is 5,8-dihydro-2H-3,1-benzoxazine.
What is the SMILES notation for 5,8-dihydro-2H-3,1-benzoxazine?
The canonical SMILES for 5,8-dihydro-2H-3,1-benzoxazine is C1=CCC2=NCOC=C2C1.
What is the InChIKey of 5,8-dihydro-2H-3,1-benzoxazine?
The InChIKey is BMEBXUCZDSVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1-2,5H,3-4,6H2.
What are the key properties of 5,8-dihydro-2H-3,1-benzoxazine?
5,8-dihydro-2H-3,1-benzoxazine has a molecular weight of 135.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-2H-3,1-benzoxazine is sourced from PubChem (CID 91804282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).