actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one

C5H9Ac2NO3 — CID 22955420

IUPACactinium;3,4-dihydroxy-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)C(O)C1O.[Ac].[Ac]
InChIInChI=1S/C5H9NO3.2Ac/c1-2-3(7)4(8)5(9)6-2;;/h2-4,7-8H,1H3,(H,6,9);;
InChIKeyMAIHRJKGPUMICL-UHFFFAOYSA-N
MW585.13 g/mol
LogP-1.77
Rot. Bonds

About actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one

actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one (PubChem CID 22955420) has the molecular formula C5H9Ac2NO3 and a molecular weight of 585.13 g/mol. Its IUPAC name is actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameactinium;3,4-dihydroxy-5-methylpyrrolidin-2-one
PubChem CID22955420
Molecular FormulaC5H9Ac2NO3
Molecular Weight585.13 g/mol
Exact Mass585.11
IUPAC Nameactinium;3,4-dihydroxy-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)C(O)C1O.[Ac].[Ac]
InChIInChI=1S/C5H9NO3.2Ac/c1-2-3(7)4(8)5(9)6-2;;/h2-4,7-8H,1H3,(H,6,9);;
InChIKeyMAIHRJKGPUMICL-UHFFFAOYSA-N
XLogP-1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.13
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-hydroxy-5-methylpyrrolidin-2-one
CID 10898693
(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
CID 11062347
(5S)-3,4-dihydroxy-3-methyl-5-propan-2-ylpyrrolidin-2-one
CID 11579204
3,4-Dihydroxy-3-methylpyrrolidin-2-one
CID 44406646
(5S)-3,4-dihydroxy-3,5-dimethylpyrrolidin-2-one
CID 44406654
3,4-Dihydroxypyrrolidin-2-one
CID 21616978
4-Hydroxy-5-methylpyrrolidin-2-one
CID 85307823
(4R,5S)-5-ethyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 57577519
(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one
CID 59556931
3,3-Difluoro-4-hydroxy-5-methylpyrrolidin-2-one
CID 72325701
(3S,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
CID 171790889
(3R,5S)-3-hydroxy-5-(trifluoromethyl)pyrrolidin-2-one
CID 171790929

Frequently Asked Questions

What is the IUPAC name of actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one (CID 22955420) is actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one is CC1NC(=O)C(O)C1O.[Ac].[Ac].
What is the InChIKey of actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one?
The InChIKey is MAIHRJKGPUMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.2Ac/c1-2-3(7)4(8)5(9)6-2;;/h2-4,7-8H,1H3,(H,6,9);;.
What are the key properties of actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one?
actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one has a molecular weight of 585.13 g/mol, XLogP of -1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 22955420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).