7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine

C9H13NO — CID 143176156

IUPAC7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESCC1=CC2=C(CC1)NCCO2
InChIInChI=1S/C9H13NO/c1-7-2-3-8-9(6-7)11-5-4-10-8/h6,10H,2-5H2,1H3
InChIKeyDSQSSFPXRHGFNN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.56
Rot. Bonds

About 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine

7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine (PubChem CID 143176156) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
PubChem CID143176156
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESCC1=CC2=C(CC1)NCCO2
InChIInChI=1S/C9H13NO/c1-7-2-3-8-9(6-7)11-5-4-10-8/h6,10H,2-5H2,1H3
InChIKeyDSQSSFPXRHGFNN-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 55300852
6-methyl-3,4,8,8a-tetrahydro-2H-1,4-benzoxazine
CID 69931717
(6R)-2-methyl-6,7-dipropyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 71228727
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
5,6-dimethyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 89474162
4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
CID 123982386
N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine
CID 134485505
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 141890450
4,7-Dimethyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142966319
(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]oxazine
CID 142992621
ethane;6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 143066023

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine (CID 143176156) is 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine is CC1=CC2=C(CC1)NCCO2.
What is the InChIKey of 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is DSQSSFPXRHGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-2-3-8-9(6-7)11-5-4-10-8/h6,10H,2-5H2,1H3.
What are the key properties of 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 151.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 143176156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).