2-anilinooxycyclopentan-1-one

C11H13NO2 — CID 23150397

IUPAC2-anilinooxycyclopentan-1-one
SMILESO=C1CCCC1ONc1ccccc1
InChIInChI=1S/C11H13NO2/c13-10-7-4-8-11(10)14-12-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2
InChIKeyWTKUIUHVCORUIS-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.15
Rot. Bonds3

About 2-anilinooxycyclopentan-1-one

2-anilinooxycyclopentan-1-one (PubChem CID 23150397) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-anilinooxycyclopentan-1-one.

Molecular Properties

Compound Name2-anilinooxycyclopentan-1-one
PubChem CID23150397
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-anilinooxycyclopentan-1-one
SMILESO=C1CCCC1ONc1ccccc1
InChIInChI=1S/C11H13NO2/c13-10-7-4-8-11(10)14-12-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2
InChIKeyWTKUIUHVCORUIS-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilinooxycyclopentan-1-one?
The IUPAC name of 2-anilinooxycyclopentan-1-one (CID 23150397) is 2-anilinooxycyclopentan-1-one.
What is the SMILES notation for 2-anilinooxycyclopentan-1-one?
The canonical SMILES for 2-anilinooxycyclopentan-1-one is O=C1CCCC1ONc1ccccc1.
What is the InChIKey of 2-anilinooxycyclopentan-1-one?
The InChIKey is WTKUIUHVCORUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-7-4-8-11(10)14-12-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2.
What are the key properties of 2-anilinooxycyclopentan-1-one?
2-anilinooxycyclopentan-1-one has a molecular weight of 191.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxycyclopentan-1-one is sourced from PubChem (CID 23150397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).