6-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H11NO — CID 649409

IUPAC6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)NCCO2
InChIInChI=1S/C9H11NO/c1-7-2-3-9-8(6-7)10-4-5-11-9/h2-3,6,10H,4-5H2,1H3
InChIKeyVKWQSTIJYWQSAL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.80
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 649409) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID649409
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)NCCO2
InChIInChI=1S/C9H11NO/c1-7-2-3-9-8(6-7)10-4-5-11-9/h2-3,6,10H,4-5H2,1H3
InChIKeyVKWQSTIJYWQSAL-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 649409) is 6-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc2c(c1)NCCO2.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VKWQSTIJYWQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-2-3-9-8(6-7)10-4-5-11-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 649409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).