CID 66653042

C4H5NNaO3 — CID 66653042

IUPAC—
SMILESO=C1CC(O)C(=O)N1.[Na]
InChIInChI=1S/C4H5NO3.Na/c6-2-1-3(7)5-4(2)8;/h2,6H,1H2,(H,5,7,8);
InChIKeyWHHZSVQZOFCFHL-UHFFFAOYSA-N
MW138.08 g/mol
LogP-1.99
Rot. Bonds

About CID 66653042

CID 66653042 (PubChem CID 66653042) has the molecular formula C4H5NNaO3 and a molecular weight of 138.08 g/mol.

Molecular Properties

Compound NameCID 66653042
PubChem CID66653042
Molecular FormulaC4H5NNaO3
Molecular Weight138.08 g/mol
Exact Mass138.02
IUPAC Name—
SMILESO=C1CC(O)C(=O)N1.[Na]
InChIInChI=1S/C4H5NO3.Na/c6-2-1-3(7)5-4(2)8;/h2,6H,1H2,(H,5,7,8);
InChIKeyWHHZSVQZOFCFHL-UHFFFAOYSA-N
XLogP-1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.08
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
CID 118323110
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
CID 172855490
3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 162174000
1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione
CID 122537613
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
3,3-diphenylcyclooctyne;3-hydroxypyrrolidine-2,5-dione
CID 175477527
(2R)-2-(2,2-dimethylpropanoylamino)-3-sulfanylpropanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 87404636
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831

Frequently Asked Questions

What is the IUPAC name of CID 66653042?
The IUPAC name of CID 66653042 (CID 66653042) is not available.
What is the SMILES notation for CID 66653042?
The canonical SMILES for CID 66653042 is O=C1CC(O)C(=O)N1.[Na].
What is the InChIKey of CID 66653042?
The InChIKey is WHHZSVQZOFCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.Na/c6-2-1-3(7)5-4(2)8;/h2,6H,1H2,(H,5,7,8);.
What are the key properties of CID 66653042?
CID 66653042 has a molecular weight of 138.08 g/mol, XLogP of -1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66653042 is sourced from PubChem (CID 66653042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).