CID 177410214

C3H5N2O2 — CID 177410214

IUPAC—
SMILESO=[N+]([O-])N1C[CH]C1
InChIInChI=1S/C3H5N2O2/c6-5(7)4-2-1-3-4/h1H,2-3H2
InChIKeyLYGMZUWFTCDLHQ-UHFFFAOYSA-N
MW101.08 g/mol
LogP-0.30
Rot. Bonds1

About CID 177410214

CID 177410214 (PubChem CID 177410214) has the molecular formula C3H5N2O2 and a molecular weight of 101.08 g/mol.

Molecular Properties

Compound NameCID 177410214
PubChem CID177410214
Molecular FormulaC3H5N2O2
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name—
SMILESO=[N+]([O-])N1C[CH]C1
InChIInChI=1S/C3H5N2O2/c6-5(7)4-2-1-3-4/h1H,2-3H2
InChIKeyLYGMZUWFTCDLHQ-UHFFFAOYSA-N
XLogP-0.30
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 177410214?
The IUPAC name of CID 177410214 (CID 177410214) is not available.
What is the SMILES notation for CID 177410214?
The canonical SMILES for CID 177410214 is O=[N+]([O-])N1C[CH]C1.
What is the InChIKey of CID 177410214?
The InChIKey is LYGMZUWFTCDLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O2/c6-5(7)4-2-1-3-4/h1H,2-3H2.
What are the key properties of CID 177410214?
CID 177410214 has a molecular weight of 101.08 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177410214 is sourced from PubChem (CID 177410214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).