3-morpholin-4-yl-4H-1,2-benzoxazine

C12H14N2O2 — CID 68557365

IUPAC3-morpholin-4-yl-4H-1,2-benzoxazine
SMILESc1ccc2c(c1)CC(N1CCOCC1)=NO2
InChIInChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(13-16-11)14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKeyBVNHECAXMZTWND-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.27
Rot. Bonds

About 3-morpholin-4-yl-4H-1,2-benzoxazine

3-morpholin-4-yl-4H-1,2-benzoxazine (PubChem CID 68557365) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-morpholin-4-yl-4H-1,2-benzoxazine.

Molecular Properties

Compound Name3-morpholin-4-yl-4H-1,2-benzoxazine
PubChem CID68557365
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-morpholin-4-yl-4H-1,2-benzoxazine
SMILESc1ccc2c(c1)CC(N1CCOCC1)=NO2
InChIInChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(13-16-11)14-5-7-15-8-6-14/h1-4H,5-9H2
InChIKeyBVNHECAXMZTWND-UHFFFAOYSA-N
XLogP1.27
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4H-1,2-benzoxazine?
The IUPAC name of 3-morpholin-4-yl-4H-1,2-benzoxazine (CID 68557365) is 3-morpholin-4-yl-4H-1,2-benzoxazine.
What is the SMILES notation for 3-morpholin-4-yl-4H-1,2-benzoxazine?
The canonical SMILES for 3-morpholin-4-yl-4H-1,2-benzoxazine is c1ccc2c(c1)CC(N1CCOCC1)=NO2.
What is the InChIKey of 3-morpholin-4-yl-4H-1,2-benzoxazine?
The InChIKey is BVNHECAXMZTWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-4-11-10(3-1)9-12(13-16-11)14-5-7-15-8-6-14/h1-4H,5-9H2.
What are the key properties of 3-morpholin-4-yl-4H-1,2-benzoxazine?
3-morpholin-4-yl-4H-1,2-benzoxazine has a molecular weight of 218.26 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4H-1,2-benzoxazine is sourced from PubChem (CID 68557365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).