CID 134862772

C10H10NO2 — CID 134862772

IUPAC—
SMILESO=C1CCC(=O)N1C1[CH]C=CC=C1
InChIInChI=1S/C10H10NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,8H,6-7H2
InChIKeyWXERJMSSSMORMK-UHFFFAOYSA-N
MW176.20 g/mol
LogP0.83
Rot. Bonds1

About CID 134862772

CID 134862772 (PubChem CID 134862772) has the molecular formula C10H10NO2 and a molecular weight of 176.20 g/mol.

Molecular Properties

Compound NameCID 134862772
PubChem CID134862772
Molecular FormulaC10H10NO2
Molecular Weight176.20 g/mol
Exact Mass176.07
IUPAC Name—
SMILESO=C1CCC(=O)N1C1[CH]C=CC=C1
InChIInChI=1S/C10H10NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,8H,6-7H2
InChIKeyWXERJMSSSMORMK-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134862772?
The IUPAC name of CID 134862772 (CID 134862772) is not available.
What is the SMILES notation for CID 134862772?
The canonical SMILES for CID 134862772 is O=C1CCC(=O)N1C1[CH]C=CC=C1.
What is the InChIKey of CID 134862772?
The InChIKey is WXERJMSSSMORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5,8H,6-7H2.
What are the key properties of CID 134862772?
CID 134862772 has a molecular weight of 176.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134862772 is sourced from PubChem (CID 134862772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).