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

C9H11NO — CID 91666706

IUPAC8-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCc1cccc2c1NCOC2
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-5-11-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChIKeyCWRCRGSLJDDRQE-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.89
Rot. Bonds

About 8-methyl-2,4-dihydro-1H-3,1-benzoxazine

8-methyl-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 91666706) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 8-methyl-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name8-methyl-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID91666706
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name8-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCc1cccc2c1NCOC2
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-5-11-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChIKeyCWRCRGSLJDDRQE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydro-2H-3,1-benzoxazin-2-one
CID 25786
1,4-Dihydrospiro[3,1-benzoxazine-2,1'-cyclohexane]
CID 934977
4H-3,1-Benzoxazin-2-thione, 1,2-dihydro-4,4-dimethyl-
CID 3032785
2,2-Dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine
CID 14025914
1,4-Dihydrospiro[3,1-benzoxazine-2,1'-cyclopentane]
CID 945130
4'-Methyl-1,4-dihydrospiro[3,1-benzoxazine-2,1'-cyclohexane]
CID 947571
2-phenyl-2,4-dihydro-1H-3,1-benzoxazine
CID 343555
2-Cyclohexyl-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
CID 605280
1,4-dihydro-2H-3,1-benzoxazine-2-thione
CID 11378692
4-methyl-2,4-dihydro-1H-3,1-benzoxazin-2-one
CID 14265904
(2R,4R)-4-ethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 11288248
4-Methoxy-2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 15851991

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine (CID 91666706) is 8-methyl-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine is Cc1cccc2c1NCOC2.
What is the InChIKey of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is CWRCRGSLJDDRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-2-4-8-5-11-6-10-9(7)8/h2-4,10H,5-6H2,1H3.
What are the key properties of 8-methyl-2,4-dihydro-1H-3,1-benzoxazine?
8-methyl-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 91666706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).