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

C9H11NO2 — CID 175880919

IUPAC8-methoxy-3,4-dihydro-2H-1,2-benzoxazine
SMILESCOc1cccc2c1ONCC2
InChIInChI=1S/C9H11NO2/c1-11-8-4-2-3-7-5-6-10-12-9(7)8/h2-4,10H,5-6H2,1H3
InChIKeyUCEVYWLGBKQHCR-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.13
Rot. Bonds1

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

8-methoxy-3,4-dihydro-2H-1,2-benzoxazine (PubChem CID 175880919) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-1,2-benzoxazine
PubChem CID175880919
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name8-methoxy-3,4-dihydro-2H-1,2-benzoxazine
SMILESCOc1cccc2c1ONCC2
InChIInChI=1S/C9H11NO2/c1-11-8-4-2-3-7-5-6-10-12-9(7)8/h2-4,10H,5-6H2,1H3
InChIKeyUCEVYWLGBKQHCR-UHFFFAOYSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine (CID 175880919) is 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine is COc1cccc2c1ONCC2.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine?
The InChIKey is UCEVYWLGBKQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-8-4-2-3-7-5-6-10-12-9(7)8/h2-4,10H,5-6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine?
8-methoxy-3,4-dihydro-2H-1,2-benzoxazine has a molecular weight of 165.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-1,2-benzoxazine is sourced from PubChem (CID 175880919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).