actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one

C10H9AcNO3 — CID 59122433

IUPACactinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one
SMILESC[C@@H](O)c1nc2ccccc2c(=O)o1.[Ac]
InChIInChI=1S/C10H9NO3.Ac/c1-6(12)9-11-8-5-3-2-4-7(8)10(13)14-9;/h2-6,12H,1H3;/t6-;/m1./s1
InChIKeyPXTWWEYAVNUQDH-FYZOBXCZSA-N
MW418.19 g/mol
LogP1.24
Rot. Bonds1

About actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one

actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one (PubChem CID 59122433) has the molecular formula C10H9AcNO3 and a molecular weight of 418.19 g/mol. Its IUPAC name is actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Nameactinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one
PubChem CID59122433
Molecular FormulaC10H9AcNO3
Molecular Weight418.19 g/mol
Exact Mass418.09
IUPAC Nameactinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one
SMILESC[C@@H](O)c1nc2ccccc2c(=O)o1.[Ac]
InChIInChI=1S/C10H9NO3.Ac/c1-6(12)9-11-8-5-3-2-4-7(8)10(13)14-9;/h2-6,12H,1H3;/t6-;/m1./s1
InChIKeyPXTWWEYAVNUQDH-FYZOBXCZSA-N
XLogP1.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxyethyl)isochromen-1-one
CID 11171487
2-(methylamino)-3,1-benzoxazin-4-one
CID 10241309
2-(trideuteriomethyl)-3,1-benzoxazin-4-one
CID 71312753
CID 68568728
CID 68568728
2-propyl-3,1-benzoxazin-4-one
CID 823661
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183
CID 164840749
CID 164840749
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
2-(bromomethyl)-3,1-benzoxazin-4-one
CID 6451966
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
CID 100978788
N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
CID 54247237
2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 135442904

Frequently Asked Questions

What is the IUPAC name of actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one?
The IUPAC name of actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one (CID 59122433) is actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one?
The canonical SMILES for actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one is C[C@@H](O)c1nc2ccccc2c(=O)o1.[Ac].
What is the InChIKey of actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one?
The InChIKey is PXTWWEYAVNUQDH-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H9NO3.Ac/c1-6(12)9-11-8-5-3-2-4-7(8)10(13)14-9;/h2-6,12H,1H3;/t6-;/m1./s1.
What are the key properties of actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one?
actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one has a molecular weight of 418.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 59122433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).