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

C9H11NO — CID 55299385

IUPAC4-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCC1OCNc2ccccc21
InChIInChI=1S/C9H11NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h2-5,7,10H,6H2,1H3
InChIKeyOQJDVOWDDRLZBR-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.15
Rot. Bonds

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

4-methyl-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 55299385) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name4-methyl-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID55299385
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCC1OCNc2ccccc21
InChIInChI=1S/C9H11NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h2-5,7,10H,6H2,1H3
InChIKeyOQJDVOWDDRLZBR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 4-methyl-2,4-dihydro-1H-3,1-benzoxazine (CID 55299385) is 4-methyl-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 4-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 4-methyl-2,4-dihydro-1H-3,1-benzoxazine is CC1OCNc2ccccc21.
What is the InChIKey of 4-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is OQJDVOWDDRLZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h2-5,7,10H,6H2,1H3.
What are the key properties of 4-methyl-2,4-dihydro-1H-3,1-benzoxazine?
4-methyl-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 55299385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).