2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine

C8H9NO — CID 152753524

IUPAC2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine
SMILESC1=CC=C2OCCNC2C=1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h2-4,7,9H,5-6H2
InChIKeyRYNKJUHORIDCIH-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.58
Rot. Bonds

About 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine

2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine (PubChem CID 152753524) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine
PubChem CID152753524
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine
SMILESC1=CC=C2OCCNC2C=1
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h2-4,7,9H,5-6H2
InChIKeyRYNKJUHORIDCIH-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 19765014
6-methoxy-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 21441431
3-(2H-pyran-6-yl)morpholine
CID 123320794
7-methyl-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 130321857
2,8-Dimethyl-2,3,4,4a-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340258
3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 142923167
2,3,4,9-Tetrahydrocyclohepta[b][1,4]oxazine
CID 144051790
3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-7-amine
CID 151510177
2,3,4,4a-Tetrahydrocyclopenta[b][1,4]oxazine
CID 160914528
3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 172726440
(3S)-3-(1-methoxyprop-1-enyl)morpholine
CID 173520359
3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine
CID 175834463

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine?
The IUPAC name of 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine (CID 152753524) is 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine is C1=CC=C2OCCNC2C=1.
What is the InChIKey of 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine?
The InChIKey is RYNKJUHORIDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h2-4,7,9H,5-6H2.
What are the key properties of 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine?
2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine has a molecular weight of 135.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 152753524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).