2-anilinooxycyclohexan-1-one

C12H15NO2 — CID 11608142

IUPAC2-anilinooxycyclohexan-1-one
SMILESO=C1CCCCC1ONc1ccccc1
InChIInChI=1S/C12H15NO2/c14-11-8-4-5-9-12(11)15-13-10-6-2-1-3-7-10/h1-3,6-7,12-13H,4-5,8-9H2
InChIKeyQFHNHNNRQVLGAS-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.54
Rot. Bonds3

About 2-anilinooxycyclohexan-1-one

2-anilinooxycyclohexan-1-one (PubChem CID 11608142) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-anilinooxycyclohexan-1-one.

Molecular Properties

Compound Name2-anilinooxycyclohexan-1-one
PubChem CID11608142
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-anilinooxycyclohexan-1-one
SMILESO=C1CCCCC1ONc1ccccc1
InChIInChI=1S/C12H15NO2/c14-11-8-4-5-9-12(11)15-13-10-6-2-1-3-7-10/h1-3,6-7,12-13H,4-5,8-9H2
InChIKeyQFHNHNNRQVLGAS-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.54
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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Related Compounds

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CID 23124521
CID 23124521
CID 23124523
CID 23124523
CID 23150397
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CID 23150410
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CID 58776143
CID 58776143
CID 58776149
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CID 23150396
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Frequently Asked Questions

What is the IUPAC name of 2-anilinooxycyclohexan-1-one?
The IUPAC name of 2-anilinooxycyclohexan-1-one (CID 11608142) is 2-anilinooxycyclohexan-1-one.
What is the SMILES notation for 2-anilinooxycyclohexan-1-one?
The canonical SMILES for 2-anilinooxycyclohexan-1-one is O=C1CCCCC1ONc1ccccc1.
What is the InChIKey of 2-anilinooxycyclohexan-1-one?
The InChIKey is QFHNHNNRQVLGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-8-4-5-9-12(11)15-13-10-6-2-1-3-7-10/h1-3,6-7,12-13H,4-5,8-9H2.
What are the key properties of 2-anilinooxycyclohexan-1-one?
2-anilinooxycyclohexan-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxycyclohexan-1-one is sourced from PubChem (CID 11608142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).