3,4,6,7-tetrahydro-2H-1,3-benzoxazine

C8H11NO — CID 123762032

IUPAC3,4,6,7-tetrahydro-2H-1,3-benzoxazine
SMILESC1=C2CNCOC2=CCC1
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-9-6-10-8/h3-4,9H,1-2,5-6H2
InChIKeyDPTMUABULDRBHE-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.17
Rot. Bonds

About 3,4,6,7-tetrahydro-2H-1,3-benzoxazine

3,4,6,7-tetrahydro-2H-1,3-benzoxazine (PubChem CID 123762032) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,4,6,7-tetrahydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name3,4,6,7-tetrahydro-2H-1,3-benzoxazine
PubChem CID123762032
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,4,6,7-tetrahydro-2H-1,3-benzoxazine
SMILESC1=C2CNCOC2=CCC1
InChIInChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-9-6-10-8/h3-4,9H,1-2,5-6H2
InChIKeyDPTMUABULDRBHE-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

6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine
CID 89043976
3,4,5,6-tetrahydro-2H-1,3-benzoxazine
CID 124030261
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
(5Z,6E)-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 137487501
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-1,3-oxazinane
CID 137487544
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
CID 138646483
(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
CID 139458884
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
CID 142277048
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane
CID 143686063
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 143686064
(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,3-oxazinane
CID 143809182
6-[(Z)-but-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,3-oxazine
CID 143811812

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The IUPAC name of 3,4,6,7-tetrahydro-2H-1,3-benzoxazine (CID 123762032) is 3,4,6,7-tetrahydro-2H-1,3-benzoxazine.
What is the SMILES notation for 3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The canonical SMILES for 3,4,6,7-tetrahydro-2H-1,3-benzoxazine is C1=C2CNCOC2=CCC1.
What is the InChIKey of 3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The InChIKey is DPTMUABULDRBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8-7(3-1)5-9-6-10-8/h3-4,9H,1-2,5-6H2.
What are the key properties of 3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
3,4,6,7-tetrahydro-2H-1,3-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 3,4,6,7-tetrahydro-2H-1,3-benzoxazine is sourced from PubChem (CID 123762032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).