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

C9H9NO — CID 144594801

IUPAC6-methyl-3H-2,1-benzoxazine
SMILESCc1ccc2c(c1)=CCON=2
InChIInChI=1S/C9H9NO/c1-7-2-3-9-8(6-7)4-5-11-10-9/h2-4,6H,5H2,1H3
InChIKeyGNIQUVRHWUIKIH-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.34
Rot. Bonds

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

6-methyl-3H-2,1-benzoxazine (PubChem CID 144594801) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-methyl-3H-2,1-benzoxazine.

Molecular Properties

Compound Name6-methyl-3H-2,1-benzoxazine
PubChem CID144594801
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-methyl-3H-2,1-benzoxazine
SMILESCc1ccc2c(c1)=CCON=2
InChIInChI=1S/C9H9NO/c1-7-2-3-9-8(6-7)4-5-11-10-9/h2-4,6H,5H2,1H3
InChIKeyGNIQUVRHWUIKIH-UHFFFAOYSA-N
XLogP0.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-2,1-benzoxazine?
The IUPAC name of 6-methyl-3H-2,1-benzoxazine (CID 144594801) is 6-methyl-3H-2,1-benzoxazine.
What is the SMILES notation for 6-methyl-3H-2,1-benzoxazine?
The canonical SMILES for 6-methyl-3H-2,1-benzoxazine is Cc1ccc2c(c1)=CCON=2.
What is the InChIKey of 6-methyl-3H-2,1-benzoxazine?
The InChIKey is GNIQUVRHWUIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-2-3-9-8(6-7)4-5-11-10-9/h2-4,6H,5H2,1H3.
What are the key properties of 6-methyl-3H-2,1-benzoxazine?
6-methyl-3H-2,1-benzoxazine has a molecular weight of 147.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-2,1-benzoxazine is sourced from PubChem (CID 144594801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).