CID 58855684

C4H7N2O — CID 58855684

IUPAC—
SMILESC=CNC(=O)C[NH]
InChIInChI=1S/C4H7N2O/c1-2-6-4(7)3-5/h2,5H,1,3H2,(H,6,7)
InChIKeyUUMFFEKZCVCDRD-UHFFFAOYSA-N
MW99.11 g/mol
LogP-0.47
Rot. Bonds2

About CID 58855684

CID 58855684 (PubChem CID 58855684) has the molecular formula C4H7N2O and a molecular weight of 99.11 g/mol.

Molecular Properties

Compound NameCID 58855684
PubChem CID58855684
Molecular FormulaC4H7N2O
Molecular Weight99.11 g/mol
Exact Mass99.06
IUPAC Name—
SMILESC=CNC(=O)C[NH]
InChIInChI=1S/C4H7N2O/c1-2-6-4(7)3-5/h2,5H,1,3H2,(H,6,7)
InChIKeyUUMFFEKZCVCDRD-UHFFFAOYSA-N
XLogP-0.47
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 58855684 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58855684?
The IUPAC name of CID 58855684 (CID 58855684) is not available.
What is the SMILES notation for CID 58855684?
The canonical SMILES for CID 58855684 is C=CNC(=O)C[NH].
What is the InChIKey of CID 58855684?
The InChIKey is UUMFFEKZCVCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2O/c1-2-6-4(7)3-5/h2,5H,1,3H2,(H,6,7).
What are the key properties of CID 58855684?
CID 58855684 has a molecular weight of 99.11 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58855684 is sourced from PubChem (CID 58855684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).