7-hydroxy-10,10a-dihydrophenoxazin-3-one

C12H9NO3 — CID 15764374

IUPAC7-hydroxy-10,10a-dihydrophenoxazin-3-one
SMILESO=C1C=CC2Nc3ccc(O)cc3OC2=C1
InChIInChI=1S/C12H9NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,9,13,15H
InChIKeyPXNYUBBNIIDWDS-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.59
Rot. Bonds

About 7-hydroxy-10,10a-dihydrophenoxazin-3-one

7-hydroxy-10,10a-dihydrophenoxazin-3-one (PubChem CID 15764374) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 7-hydroxy-10,10a-dihydrophenoxazin-3-one.

Molecular Properties

Compound Name7-hydroxy-10,10a-dihydrophenoxazin-3-one
PubChem CID15764374
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name7-hydroxy-10,10a-dihydrophenoxazin-3-one
SMILESO=C1C=CC2Nc3ccc(O)cc3OC2=C1
InChIInChI=1S/C12H9NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,9,13,15H
InChIKeyPXNYUBBNIIDWDS-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-10,10a-dihydrophenoxazin-3-one?
The IUPAC name of 7-hydroxy-10,10a-dihydrophenoxazin-3-one (CID 15764374) is 7-hydroxy-10,10a-dihydrophenoxazin-3-one.
What is the SMILES notation for 7-hydroxy-10,10a-dihydrophenoxazin-3-one?
The canonical SMILES for 7-hydroxy-10,10a-dihydrophenoxazin-3-one is O=C1C=CC2Nc3ccc(O)cc3OC2=C1.
What is the InChIKey of 7-hydroxy-10,10a-dihydrophenoxazin-3-one?
The InChIKey is PXNYUBBNIIDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,9,13,15H.
What are the key properties of 7-hydroxy-10,10a-dihydrophenoxazin-3-one?
7-hydroxy-10,10a-dihydrophenoxazin-3-one has a molecular weight of 215.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-10,10a-dihydrophenoxazin-3-one is sourced from PubChem (CID 15764374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).