7,8-dihydro-2H-3,1-benzoxazine

C8H9NO — CID 91238304

IUPAC7,8-dihydro-2H-3,1-benzoxazine
SMILESC1=CC2=COCN=C2CC1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1,3,5H,2,4,6H2
InChIKeyZMOPIHAHUPYNDB-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.65
Rot. Bonds

About 7,8-dihydro-2H-3,1-benzoxazine

7,8-dihydro-2H-3,1-benzoxazine (PubChem CID 91238304) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 7,8-dihydro-2H-3,1-benzoxazine.

Molecular Properties

Compound Name7,8-dihydro-2H-3,1-benzoxazine
PubChem CID91238304
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name7,8-dihydro-2H-3,1-benzoxazine
SMILESC1=CC2=COCN=C2CC1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1,3,5H,2,4,6H2
InChIKeyZMOPIHAHUPYNDB-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

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Related Compounds

2H-3,1-Benzoxazine
CID 18354516
3,1-Benzoxazine-2-thione
CID 19806581
3,1-Benzooxazine hydrochloride
CID 68804172
2-Amino-3,1-benzoxazine
CID 129648117
7-fluoro-8-methyl-2H-3,1-benzoxazine
CID 175783498
4-Propyl-3,1-benzoxazine
CID 129795649
3,1-Benzoxazine hydrobromide
CID 129814186
4-Vinyl-3,1-benzoxazine
CID 172994105
2-(trifluoromethyl)-2H-3,1-benzoxazine
CID 152292762
2H-pyrano[4,3-b]pyridine
CID 53748939
iridium;4-phenyl-2H-1,3-oxazine
CID 58983204
2H-3,1-benzoxazine-6-carbonitrile
CID 67278017

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-2H-3,1-benzoxazine?
The IUPAC name of 7,8-dihydro-2H-3,1-benzoxazine (CID 91238304) is 7,8-dihydro-2H-3,1-benzoxazine.
What is the SMILES notation for 7,8-dihydro-2H-3,1-benzoxazine?
The canonical SMILES for 7,8-dihydro-2H-3,1-benzoxazine is C1=CC2=COCN=C2CC1.
What is the InChIKey of 7,8-dihydro-2H-3,1-benzoxazine?
The InChIKey is ZMOPIHAHUPYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-10-6-9-8/h1,3,5H,2,4,6H2.
What are the key properties of 7,8-dihydro-2H-3,1-benzoxazine?
7,8-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 7,8-dihydro-2H-3,1-benzoxazine is sourced from PubChem (CID 91238304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).