CID 177384044

C8H5NO2 — CID 177384044

IUPAC—
SMILESO=[N+]([O-])c1ccc2c(c1)C[C]2
InChIInChI=1S/C8H5NO2/c10-9(11)8-4-3-6-1-2-7(6)5-8/h3-5H,2H2
InChIKeyZHANTYPFCWGIOE-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.58
Rot. Bonds1

About CID 177384044

CID 177384044 (PubChem CID 177384044) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol.

Molecular Properties

Compound NameCID 177384044
PubChem CID177384044
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name—
SMILESO=[N+]([O-])c1ccc2c(c1)C[C]2
InChIInChI=1S/C8H5NO2/c10-9(11)8-4-3-6-1-2-7(6)5-8/h3-5H,2H2
InChIKeyZHANTYPFCWGIOE-UHFFFAOYSA-N
XLogP1.58
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 177384044?
The IUPAC name of CID 177384044 (CID 177384044) is not available.
What is the SMILES notation for CID 177384044?
The canonical SMILES for CID 177384044 is O=[N+]([O-])c1ccc2c(c1)C[C]2.
What is the InChIKey of CID 177384044?
The InChIKey is ZHANTYPFCWGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-9(11)8-4-3-6-1-2-7(6)5-8/h3-5H,2H2.
What are the key properties of CID 177384044?
CID 177384044 has a molecular weight of 147.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177384044 is sourced from PubChem (CID 177384044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).