3,4,7,8-tetrahydro-2H-1,4-benzoxazine

C8H11NO — CID 142923167

IUPAC3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)OCCN2
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,9H,2,4-6H2
InChIKeyPIQANBQZJVBKMD-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.17
Rot. Bonds

About 3,4,7,8-tetrahydro-2H-1,4-benzoxazine

3,4,7,8-tetrahydro-2H-1,4-benzoxazine (PubChem CID 142923167) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,4,7,8-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3,4,7,8-tetrahydro-2H-1,4-benzoxazine
PubChem CID142923167
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)OCCN2
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,9H,2,4-6H2
InChIKeyPIQANBQZJVBKMD-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 135193067
5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 157996314
7,8-difluoro-3-methyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 91663177
2-cyclohexa-1,3-dien-1-yloxy-N-methylethanamine
CID 17920106
3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 19765014
3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 55300852
2-Ethyl-3-methoxy-6-methyl-1,2-dihydropyridine
CID 58869507
N-(1,4-dioxin-2-ylmethyl)cyclohexa-1,3-dien-1-amine
CID 66727559
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
2,3,4,5,8,9-Hexahydro-1,5-benzoxazepine
CID 130295917
6-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 138527721
5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine
CID 139377305

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 3,4,7,8-tetrahydro-2H-1,4-benzoxazine (CID 142923167) is 3,4,7,8-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 3,4,7,8-tetrahydro-2H-1,4-benzoxazine is C1=CC2=C(CC1)OCCN2.
What is the InChIKey of 3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is PIQANBQZJVBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1,3,9H,2,4-6H2.
What are the key properties of 3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
3,4,7,8-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 137.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 142923167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).