CID 59967683

C6H9N2O2 — CID 59967683

IUPAC—
SMILES[CH2]O/N=C1\CCCNC1=O
InChIInChI=1S/C6H9N2O2/c1-10-8-5-3-2-4-7-6(5)9/h1-4H2,(H,7,9)/b8-5+
InChIKeyPGMDVWZMHCFLMR-VMPITWQZSA-N
MW141.15 g/mol
LogP0.06
Rot. Bonds1

About CID 59967683

CID 59967683 (PubChem CID 59967683) has the molecular formula C6H9N2O2 and a molecular weight of 141.15 g/mol.

Molecular Properties

Compound NameCID 59967683
PubChem CID59967683
Molecular FormulaC6H9N2O2
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name—
SMILES[CH2]O/N=C1\CCCNC1=O
InChIInChI=1S/C6H9N2O2/c1-10-8-5-3-2-4-7-6(5)9/h1-4H2,(H,7,9)/b8-5+
InChIKeyPGMDVWZMHCFLMR-VMPITWQZSA-N
XLogP0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59967683?
The IUPAC name of CID 59967683 (CID 59967683) is not available.
What is the SMILES notation for CID 59967683?
The canonical SMILES for CID 59967683 is [CH2]O/N=C1\CCCNC1=O.
What is the InChIKey of CID 59967683?
The InChIKey is PGMDVWZMHCFLMR-VMPITWQZSA-N. The full InChI is InChI=1S/C6H9N2O2/c1-10-8-5-3-2-4-7-6(5)9/h1-4H2,(H,7,9)/b8-5+.
What are the key properties of CID 59967683?
CID 59967683 has a molecular weight of 141.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967683 is sourced from PubChem (CID 59967683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).