CID 87838210

C4H7NNaO2 — CID 87838210

IUPAC—
SMILESCC(=O)NC(C)=O.[Na]
InChIInChI=1S/C4H7NO2.Na/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyCBRPAQXKGJMUPW-UHFFFAOYSA-N
MW124.09 g/mol
LogP-0.71
Rot. Bonds

About CID 87838210

CID 87838210 (PubChem CID 87838210) has the molecular formula C4H7NNaO2 and a molecular weight of 124.09 g/mol.

Molecular Properties

Compound NameCID 87838210
PubChem CID87838210
Molecular FormulaC4H7NNaO2
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name—
SMILESCC(=O)NC(C)=O.[Na]
InChIInChI=1S/C4H7NO2.Na/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyCBRPAQXKGJMUPW-UHFFFAOYSA-N
XLogP-0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87838210?
The IUPAC name of CID 87838210 (CID 87838210) is not available.
What is the SMILES notation for CID 87838210?
The canonical SMILES for CID 87838210 is CC(=O)NC(C)=O.[Na].
What is the InChIKey of CID 87838210?
The InChIKey is CBRPAQXKGJMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.Na/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);.
What are the key properties of CID 87838210?
CID 87838210 has a molecular weight of 124.09 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87838210 is sourced from PubChem (CID 87838210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).