CID 172781007

C5H6LiN2O2 — CID 172781007

IUPAC—
SMILESCc1c[nH]c(=O)[nH]c1=O.[Li]
InChIInChI=1S/C5H6N2O2.Li/c1-3-2-6-5(9)7-4(3)8;/h2H,1H3,(H2,6,7,8,9);
InChIKeyOGFKFXAWMCZCCU-UHFFFAOYSA-N
MW133.06 g/mol
LogP-1.01
Rot. Bonds

About CID 172781007

CID 172781007 (PubChem CID 172781007) has the molecular formula C5H6LiN2O2 and a molecular weight of 133.06 g/mol.

Molecular Properties

Compound NameCID 172781007
PubChem CID172781007
Molecular FormulaC5H6LiN2O2
Molecular Weight133.06 g/mol
Exact Mass133.06
IUPAC Name—
SMILESCc1c[nH]c(=O)[nH]c1=O.[Li]
InChIInChI=1S/C5H6N2O2.Li/c1-3-2-6-5(9)7-4(3)8;/h2H,1H3,(H2,6,7,8,9);
InChIKeyOGFKFXAWMCZCCU-UHFFFAOYSA-N
XLogP-1.01
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.06
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 172781007?
The IUPAC name of CID 172781007 (CID 172781007) is not available.
What is the SMILES notation for CID 172781007?
The canonical SMILES for CID 172781007 is Cc1c[nH]c(=O)[nH]c1=O.[Li].
What is the InChIKey of CID 172781007?
The InChIKey is OGFKFXAWMCZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.Li/c1-3-2-6-5(9)7-4(3)8;/h2H,1H3,(H2,6,7,8,9);.
What are the key properties of CID 172781007?
CID 172781007 has a molecular weight of 133.06 g/mol, XLogP of -1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172781007 is sourced from PubChem (CID 172781007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).