CID 88757249

C2H8ClNNaO — CID 88757249

IUPAC—
SMILESCl.NCCO.[Na]
InChIInChI=1S/C2H7NO.ClH.Na/c3-1-2-4;;/h4H,1-3H2;1H;
InChIKeyTYTPNERGYRHNBI-UHFFFAOYSA-N
MW120.54 g/mol
LogP-1.02
Rot. Bonds1

About CID 88757249

CID 88757249 (PubChem CID 88757249) has the molecular formula C2H8ClNNaO and a molecular weight of 120.54 g/mol.

Molecular Properties

Compound NameCID 88757249
PubChem CID88757249
Molecular FormulaC2H8ClNNaO
Molecular Weight120.54 g/mol
Exact Mass120.02
IUPAC Name—
SMILESCl.NCCO.[Na]
InChIInChI=1S/C2H7NO.ClH.Na/c3-1-2-4;;/h4H,1-3H2;1H;
InChIKeyTYTPNERGYRHNBI-UHFFFAOYSA-N
XLogP-1.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.54
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 88757249?
The IUPAC name of CID 88757249 (CID 88757249) is not available.
What is the SMILES notation for CID 88757249?
The canonical SMILES for CID 88757249 is Cl.NCCO.[Na].
What is the InChIKey of CID 88757249?
The InChIKey is TYTPNERGYRHNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.ClH.Na/c3-1-2-4;;/h4H,1-3H2;1H;.
What are the key properties of CID 88757249?
CID 88757249 has a molecular weight of 120.54 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88757249 is sourced from PubChem (CID 88757249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).