4,6,7,8-tetrahydro-3H-2,3-benzoxazine

C8H11NO — CID 90950780

IUPAC4,6,7,8-tetrahydro-3H-2,3-benzoxazine
SMILESC1=C2CCCC=C2CNO1
InChIInChI=1S/C8H11NO/c1-2-4-8-6-10-9-5-7(8)3-1/h3,6,9H,1-2,4-5H2
InChIKeyFAMYKJVNJGIXRV-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.52
Rot. Bonds

About 4,6,7,8-tetrahydro-3H-2,3-benzoxazine

4,6,7,8-tetrahydro-3H-2,3-benzoxazine (PubChem CID 90950780) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,6,7,8-tetrahydro-3H-2,3-benzoxazine.

Molecular Properties

Compound Name4,6,7,8-tetrahydro-3H-2,3-benzoxazine
PubChem CID90950780
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,6,7,8-tetrahydro-3H-2,3-benzoxazine
SMILESC1=C2CCCC=C2CNO1
InChIInChI=1S/C8H11NO/c1-2-4-8-6-10-9-5-7(8)3-1/h3,6,9H,1-2,4-5H2
InChIKeyFAMYKJVNJGIXRV-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopenten-1-yl)cyclooctene
CID 91463872
3,4,6,7-tetrahydro-1H-2,3-benzoxazine
CID 91550424
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
5,6,7,8-tetrahydro-3H-isochromene
CID 102169762
4-(cyclopenten-1-yl)-2H-triazole
CID 175787968
3-(cyclopenten-1-yl)furan
CID 584150
5-(cyclopenten-1-yl)furan-2-carbaldehyde
CID 129322221
2,3,4,6,7,8-hexahydroquinoline
CID 10986285
3,5,6,7-tetrahydro-2H-1,3-benzoxazine
CID 173072035
2-[4-(cyclopenten-1-yl)phenyl]ethylsilane
CID 160586497
3-(cyclohexen-1-yl)-5-cyclohexylidenefuran-2-one
CID 15709656

Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydro-3H-2,3-benzoxazine?
The IUPAC name of 4,6,7,8-tetrahydro-3H-2,3-benzoxazine (CID 90950780) is 4,6,7,8-tetrahydro-3H-2,3-benzoxazine.
What is the SMILES notation for 4,6,7,8-tetrahydro-3H-2,3-benzoxazine?
The canonical SMILES for 4,6,7,8-tetrahydro-3H-2,3-benzoxazine is C1=C2CCCC=C2CNO1.
What is the InChIKey of 4,6,7,8-tetrahydro-3H-2,3-benzoxazine?
The InChIKey is FAMYKJVNJGIXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8-6-10-9-5-7(8)3-1/h3,6,9H,1-2,4-5H2.
What are the key properties of 4,6,7,8-tetrahydro-3H-2,3-benzoxazine?
4,6,7,8-tetrahydro-3H-2,3-benzoxazine has a molecular weight of 137.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydro-3H-2,3-benzoxazine is sourced from PubChem (CID 90950780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).