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

C9H11NO — CID 20871795

IUPAC5-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NCCO2
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-9(7)10-5-6-11-8/h2-4,10H,5-6H2,1H3
InChIKeyZMWCBDOFRHNVLA-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.80
Rot. Bonds

About 5-methyl-3,4-dihydro-2H-1,4-benzoxazine

5-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 20871795) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID20871795
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cccc2c1NCCO2
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-9(7)10-5-6-11-8/h2-4,10H,5-6H2,1H3
InChIKeyZMWCBDOFRHNVLA-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
8-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 4266080
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10933317
6-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 18318065
6-ethoxyspiro[1H-quinoline-2,4'-piperidine]
CID 44383698
8-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 44383798
8-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
CID 44383905

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 5-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 20871795) is 5-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cccc2c1NCCO2.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ZMWCBDOFRHNVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-2-4-8-9(7)10-5-6-11-8/h2-4,10H,5-6H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-1,4-benzoxazine?
5-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 20871795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).