CID 59694853

C5H4N2O — CID 59694853

IUPAC—
SMILES[CH]c1nccc(=O)[nH]1
InChIInChI=1S/C5H4N2O/c1-4-6-3-2-5(8)7-4/h1-3H,(H,6,7,8)
InChIKeyJIPBACGDVWULEN-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.17
Rot. Bonds

About CID 59694853

CID 59694853 (PubChem CID 59694853) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol.

Molecular Properties

Compound NameCID 59694853
PubChem CID59694853
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name—
SMILES[CH]c1nccc(=O)[nH]1
InChIInChI=1S/C5H4N2O/c1-4-6-3-2-5(8)7-4/h1-3H,(H,6,7,8)
InChIKeyJIPBACGDVWULEN-UHFFFAOYSA-N
XLogP-0.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694853?
The IUPAC name of CID 59694853 (CID 59694853) is not available.
What is the SMILES notation for CID 59694853?
The canonical SMILES for CID 59694853 is [CH]c1nccc(=O)[nH]1.
What is the InChIKey of CID 59694853?
The InChIKey is JIPBACGDVWULEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c1-4-6-3-2-5(8)7-4/h1-3H,(H,6,7,8).
What are the key properties of CID 59694853?
CID 59694853 has a molecular weight of 108.10 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694853 is sourced from PubChem (CID 59694853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).