2-nonoxyimino-1-phenylpropan-1-one

C18H27NO2 — CID 150656295

IUPAC2-nonoxyimino-1-phenylpropan-1-one
SMILESCCCCCCCCCON=C(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-4-5-6-7-8-12-15-21-19-16(2)18(20)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15H2,1-2H3
InChIKeyJCXOWXQEXQCWGZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.01
Rot. Bonds11

About 2-nonoxyimino-1-phenylpropan-1-one

2-nonoxyimino-1-phenylpropan-1-one (PubChem CID 150656295) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-nonoxyimino-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-nonoxyimino-1-phenylpropan-1-one
PubChem CID150656295
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-nonoxyimino-1-phenylpropan-1-one
SMILESCCCCCCCCCON=C(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-4-5-6-7-8-12-15-21-19-16(2)18(20)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15H2,1-2H3
InChIKeyJCXOWXQEXQCWGZ-UHFFFAOYSA-N
XLogP5.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylheptadecan-1-one
CID 577626
[(1-oxo-1-phenylpropan-2-ylidene)amino] propanoate
CID 58599131
N-pentoxybenzenecarboximidoyl cyanide
CID 175114895
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
hexyl benzoate
CID 23235
3-heptoxy-1-phenylpropan-1-one
CID 116692052
CID 162308343
CID 162308343
butyl benzoate;hexyl benzoate
CID 22163024
CID 172820816
CID 172820816
hexane;1-phenylethanone
CID 160797049
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974
benzoic acid;1-pentoxypentane
CID 70815519

Frequently Asked Questions

What is the IUPAC name of 2-nonoxyimino-1-phenylpropan-1-one?
The IUPAC name of 2-nonoxyimino-1-phenylpropan-1-one (CID 150656295) is 2-nonoxyimino-1-phenylpropan-1-one.
What is the SMILES notation for 2-nonoxyimino-1-phenylpropan-1-one?
The canonical SMILES for 2-nonoxyimino-1-phenylpropan-1-one is CCCCCCCCCON=C(C)C(=O)c1ccccc1.
What is the InChIKey of 2-nonoxyimino-1-phenylpropan-1-one?
The InChIKey is JCXOWXQEXQCWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-5-6-7-8-12-15-21-19-16(2)18(20)17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15H2,1-2H3.
What are the key properties of 2-nonoxyimino-1-phenylpropan-1-one?
2-nonoxyimino-1-phenylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonoxyimino-1-phenylpropan-1-one is sourced from PubChem (CID 150656295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).