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

C9H11NO2 — CID 19895002

IUPAC7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc2c(c1)OCCN2
InChIInChI=1S/C9H11NO2/c1-11-7-2-3-8-9(6-7)12-5-4-10-8/h2-3,6,10H,4-5H2,1H3
InChIKeySHPHWZPKRWHBKE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.50
Rot. Bonds1

About 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine

7-methoxy-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 19895002) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID19895002
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc2c(c1)OCCN2
InChIInChI=1S/C9H11NO2/c1-11-7-2-3-8-9(6-7)12-5-4-10-8/h2-3,6,10H,4-5H2,1H3
InChIKeySHPHWZPKRWHBKE-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine (CID 19895002) is 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc2c(c1)OCCN2.
What is the InChIKey of 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is SHPHWZPKRWHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-7-2-3-8-9(6-7)12-5-4-10-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine?
7-methoxy-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 165.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 19895002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).