1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C10H11NO3 — CID 10679323

IUPAC1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c1-7(12)11-4-5-14-10-3-2-8(13)6-9(10)11/h2-3,6,13H,4-5H2,1H3
InChIKeyNWRQTCOJZTZYQN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.14
Rot. Bonds

About 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 10679323) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID10679323
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c1-7(12)11-4-5-14-10-3-2-8(13)6-9(10)11/h2-3,6,13H,4-5H2,1H3
InChIKeyNWRQTCOJZTZYQN-UHFFFAOYSA-N
XLogP1.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 10679323) is 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is CC(=O)N1CCOc2ccc(O)cc21.
What is the InChIKey of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is NWRQTCOJZTZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-4-5-14-10-3-2-8(13)6-9(10)11/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 193.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 10679323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).