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

C9H9NO — CID 141199065

IUPAC2-methyl-2H-3,1-benzoxazine
SMILESCC1N=c2ccccc2=CO1
InChIInChI=1S/C9H9NO/c1-7-10-9-5-3-2-4-8(9)6-11-7/h2-7H,1H3
InChIKeyKBQVRMPSGKFDHI-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.42
Rot. Bonds

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

2-methyl-2H-3,1-benzoxazine (PubChem CID 141199065) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methyl-2H-3,1-benzoxazine.

Molecular Properties

Compound Name2-methyl-2H-3,1-benzoxazine
PubChem CID141199065
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methyl-2H-3,1-benzoxazine
SMILESCC1N=c2ccccc2=CO1
InChIInChI=1S/C9H9NO/c1-7-10-9-5-3-2-4-8(9)6-11-7/h2-7H,1H3
InChIKeyKBQVRMPSGKFDHI-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-3,1-benzoxazine?
The IUPAC name of 2-methyl-2H-3,1-benzoxazine (CID 141199065) is 2-methyl-2H-3,1-benzoxazine.
What is the SMILES notation for 2-methyl-2H-3,1-benzoxazine?
The canonical SMILES for 2-methyl-2H-3,1-benzoxazine is CC1N=c2ccccc2=CO1.
What is the InChIKey of 2-methyl-2H-3,1-benzoxazine?
The InChIKey is KBQVRMPSGKFDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-10-9-5-3-2-4-8(9)6-11-7/h2-7H,1H3.
What are the key properties of 2-methyl-2H-3,1-benzoxazine?
2-methyl-2H-3,1-benzoxazine has a molecular weight of 147.18 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-3,1-benzoxazine is sourced from PubChem (CID 141199065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).