3-methyl-2H-1,2-benzoxazine

C9H9NO — CID 22266726

IUPAC3-methyl-2H-1,2-benzoxazine
SMILESCC1=Cc2ccccc2ON1
InChIInChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6,10H,1H3
InChIKeyVHWHAFWMTSHXEF-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.94
Rot. Bonds

About 3-methyl-2H-1,2-benzoxazine

3-methyl-2H-1,2-benzoxazine (PubChem CID 22266726) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-methyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-methyl-2H-1,2-benzoxazine
PubChem CID22266726
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-methyl-2H-1,2-benzoxazine
SMILESCC1=Cc2ccccc2ON1
InChIInChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6,10H,1H3
InChIKeyVHWHAFWMTSHXEF-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoxazines
CID 17845026
7,8-Difluoro-3-methylbenzoxazine
CID 19869898
3-methyl-4H-1,2-benzoxazine
CID 10953664
Benzoxazine hydrochloride
CID 17845025
Dihydrobenzoxazepine
CID 21893792
Aminobenzoxazine
CID 22177461
Allyl benzoxazine
CID 67120017
3-Phenyl-2h-benzoxazine
CID 67469621
Nitrobenzoxazine
CID 68511059
Monobromobenzoxazine
CID 68559991
2-Amino-benzoxazine
CID 68604665
Diamino benzoxazine
CID 70479204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,2-benzoxazine?
The IUPAC name of 3-methyl-2H-1,2-benzoxazine (CID 22266726) is 3-methyl-2H-1,2-benzoxazine.
What is the SMILES notation for 3-methyl-2H-1,2-benzoxazine?
The canonical SMILES for 3-methyl-2H-1,2-benzoxazine is CC1=Cc2ccccc2ON1.
What is the InChIKey of 3-methyl-2H-1,2-benzoxazine?
The InChIKey is VHWHAFWMTSHXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6,10H,1H3.
What are the key properties of 3-methyl-2H-1,2-benzoxazine?
3-methyl-2H-1,2-benzoxazine has a molecular weight of 147.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,2-benzoxazine is sourced from PubChem (CID 22266726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).