2-anilinooxy-2-methylcycloheptan-1-one

C14H19NO2 — CID 139972445

IUPAC2-anilinooxy-2-methylcycloheptan-1-one
SMILESCC1(ONc2ccccc2)CCCCCC1=O
InChIInChI=1S/C14H19NO2/c1-14(11-7-3-6-10-13(14)16)17-15-12-8-4-2-5-9-12/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3
InChIKeyDPKHZRVMFUJZMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.32
Rot. Bonds3

About 2-anilinooxy-2-methylcycloheptan-1-one

2-anilinooxy-2-methylcycloheptan-1-one (PubChem CID 139972445) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-anilinooxy-2-methylcycloheptan-1-one.

Molecular Properties

Compound Name2-anilinooxy-2-methylcycloheptan-1-one
PubChem CID139972445
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-anilinooxy-2-methylcycloheptan-1-one
SMILESCC1(ONc2ccccc2)CCCCCC1=O
InChIInChI=1S/C14H19NO2/c1-14(11-7-3-6-10-13(14)16)17-15-12-8-4-2-5-9-12/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3
InChIKeyDPKHZRVMFUJZMP-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.32
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

3-anilinooxy-3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-one
CID 139972425
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
2-anilinooxycycloheptan-1-one
CID 23124527
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-benzyl-2-methoxycyclohexan-1-one
CID 11806160
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
(2S)-2-(1-hydroxy-3-phenylprop-2-ynyl)-2-methylcyclohexan-1-one
CID 101389872
(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
CID 156538709
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
2-methyl-2-thiophen-2-ylcyclohexan-1-one
CID 54201898

Frequently Asked Questions

What is the IUPAC name of 2-anilinooxy-2-methylcycloheptan-1-one?
The IUPAC name of 2-anilinooxy-2-methylcycloheptan-1-one (CID 139972445) is 2-anilinooxy-2-methylcycloheptan-1-one.
What is the SMILES notation for 2-anilinooxy-2-methylcycloheptan-1-one?
The canonical SMILES for 2-anilinooxy-2-methylcycloheptan-1-one is CC1(ONc2ccccc2)CCCCCC1=O.
What is the InChIKey of 2-anilinooxy-2-methylcycloheptan-1-one?
The InChIKey is DPKHZRVMFUJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(11-7-3-6-10-13(14)16)17-15-12-8-4-2-5-9-12/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3.
What are the key properties of 2-anilinooxy-2-methylcycloheptan-1-one?
2-anilinooxy-2-methylcycloheptan-1-one has a molecular weight of 233.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxy-2-methylcycloheptan-1-one is sourced from PubChem (CID 139972445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).