CID 87837961

C4H7LiNO2 — CID 87837961

IUPAC—
SMILESCC(=O)NC(C)=O.[Li]
InChIInChI=1S/C4H7NO2.Li/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyFYXKTJFQNRHTDK-UHFFFAOYSA-N
MW108.05 g/mol
LogP-0.71
Rot. Bonds

About CID 87837961

CID 87837961 (PubChem CID 87837961) has the molecular formula C4H7LiNO2 and a molecular weight of 108.05 g/mol.

Molecular Properties

Compound NameCID 87837961
PubChem CID87837961
Molecular FormulaC4H7LiNO2
Molecular Weight108.05 g/mol
Exact Mass108.06
IUPAC Name—
SMILESCC(=O)NC(C)=O.[Li]
InChIInChI=1S/C4H7NO2.Li/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyFYXKTJFQNRHTDK-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 ≤ 500108.05
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 87837961?
The IUPAC name of CID 87837961 (CID 87837961) is not available.
What is the SMILES notation for CID 87837961?
The canonical SMILES for CID 87837961 is CC(=O)NC(C)=O.[Li].
What is the InChIKey of CID 87837961?
The InChIKey is FYXKTJFQNRHTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.Li/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);.
What are the key properties of CID 87837961?
CID 87837961 has a molecular weight of 108.05 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 87837961 is sourced from PubChem (CID 87837961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).