CID 126963470

C5H7N2O3 — CID 126963470

IUPAC—
SMILESO=C1CC[N]CC1[N+](=O)[O-]
InChIInChI=1S/C5H7N2O3/c8-5-1-2-6-3-4(5)7(9)10/h4H,1-3H2
InChIKeyKQWLOFYHHOTUFT-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.79
Rot. Bonds1

About CID 126963470

CID 126963470 (PubChem CID 126963470) has the molecular formula C5H7N2O3 and a molecular weight of 143.12 g/mol.

Molecular Properties

Compound NameCID 126963470
PubChem CID126963470
Molecular FormulaC5H7N2O3
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name—
SMILESO=C1CC[N]CC1[N+](=O)[O-]
InChIInChI=1S/C5H7N2O3/c8-5-1-2-6-3-4(5)7(9)10/h4H,1-3H2
InChIKeyKQWLOFYHHOTUFT-UHFFFAOYSA-N
XLogP-0.79
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 126963470?
The IUPAC name of CID 126963470 (CID 126963470) is not available.
What is the SMILES notation for CID 126963470?
The canonical SMILES for CID 126963470 is O=C1CC[N]CC1[N+](=O)[O-].
What is the InChIKey of CID 126963470?
The InChIKey is KQWLOFYHHOTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O3/c8-5-1-2-6-3-4(5)7(9)10/h4H,1-3H2.
What are the key properties of CID 126963470?
CID 126963470 has a molecular weight of 143.12 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126963470 is sourced from PubChem (CID 126963470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).