CID 59816270

C10H8NO3 — CID 59816270

IUPAC—
SMILESO=[N+]([O-])OC1[CH]C=Cc2ccccc21
InChIInChI=1S/C10H8NO3/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,10H
InChIKeyCJDYWYLLSUGYOV-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.17
Rot. Bonds2

About CID 59816270

CID 59816270 (PubChem CID 59816270) has the molecular formula C10H8NO3 and a molecular weight of 190.18 g/mol.

Molecular Properties

Compound NameCID 59816270
PubChem CID59816270
Molecular FormulaC10H8NO3
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name—
SMILESO=[N+]([O-])OC1[CH]C=Cc2ccccc21
InChIInChI=1S/C10H8NO3/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,10H
InChIKeyCJDYWYLLSUGYOV-UHFFFAOYSA-N
XLogP2.17
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.17
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 59816270?
The IUPAC name of CID 59816270 (CID 59816270) is not available.
What is the SMILES notation for CID 59816270?
The canonical SMILES for CID 59816270 is O=[N+]([O-])OC1[CH]C=Cc2ccccc21.
What is the InChIKey of CID 59816270?
The InChIKey is CJDYWYLLSUGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8NO3/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,10H.
What are the key properties of CID 59816270?
CID 59816270 has a molecular weight of 190.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59816270 is sourced from PubChem (CID 59816270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).