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

C9H11NO — CID 26875

IUPAC3-methyl-1,4-dihydro-2,3-benzoxazine
SMILESCN1Cc2ccccc2CO1
InChIInChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)7-11-10/h2-5H,6-7H2,1H3
InChIKeySBPYEMSKGZSEGI-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds

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

3-methyl-1,4-dihydro-2,3-benzoxazine (PubChem CID 26875) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-methyl-1,4-dihydro-2,3-benzoxazine.

Molecular Properties

Compound Name3-methyl-1,4-dihydro-2,3-benzoxazine
PubChem CID26875
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-methyl-1,4-dihydro-2,3-benzoxazine
SMILESCN1Cc2ccccc2CO1
InChIInChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)7-11-10/h2-5H,6-7H2,1H3
InChIKeySBPYEMSKGZSEGI-UHFFFAOYSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydro-2,3-benzoxazine?
The IUPAC name of 3-methyl-1,4-dihydro-2,3-benzoxazine (CID 26875) is 3-methyl-1,4-dihydro-2,3-benzoxazine.
What is the SMILES notation for 3-methyl-1,4-dihydro-2,3-benzoxazine?
The canonical SMILES for 3-methyl-1,4-dihydro-2,3-benzoxazine is CN1Cc2ccccc2CO1.
What is the InChIKey of 3-methyl-1,4-dihydro-2,3-benzoxazine?
The InChIKey is SBPYEMSKGZSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)7-11-10/h2-5H,6-7H2,1H3.
What are the key properties of 3-methyl-1,4-dihydro-2,3-benzoxazine?
3-methyl-1,4-dihydro-2,3-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydro-2,3-benzoxazine is sourced from PubChem (CID 26875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).