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

C9H11NO — CID 2763760

IUPAC3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2ccccc2N1
InChIInChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKeyBSDVKBWLRCKPFB-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds

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

3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 2763760) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID2763760
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2ccccc2N1
InChIInChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKeyBSDVKBWLRCKPFB-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 2763760) is 3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1COc2ccccc2N1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BSDVKBWLRCKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 2763760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).