2-hydroxyiminocyclononan-1-one

C9H15NO2 — CID 146812395

IUPAC2-hydroxyiminocyclononan-1-one
SMILESO=C1CCCCCCCC1=NO
InChIInChI=1S/C9H15NO2/c11-9-7-5-3-1-2-4-6-8(9)10-12/h12H,1-7H2
InChIKeyDPOLBXGUIBLRCU-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.13
Rot. Bonds

About 2-hydroxyiminocyclononan-1-one

2-hydroxyiminocyclononan-1-one (PubChem CID 146812395) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-hydroxyiminocyclononan-1-one.

Molecular Properties

Compound Name2-hydroxyiminocyclononan-1-one
PubChem CID146812395
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-hydroxyiminocyclononan-1-one
SMILESO=C1CCCCCCCC1=NO
InChIInChI=1S/C9H15NO2/c11-9-7-5-3-1-2-4-6-8(9)10-12/h12H,1-7H2
InChIKeyDPOLBXGUIBLRCU-UHFFFAOYSA-N
XLogP2.13
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminocyclononan-1-one?
The IUPAC name of 2-hydroxyiminocyclononan-1-one (CID 146812395) is 2-hydroxyiminocyclononan-1-one.
What is the SMILES notation for 2-hydroxyiminocyclononan-1-one?
The canonical SMILES for 2-hydroxyiminocyclononan-1-one is O=C1CCCCCCCC1=NO.
What is the InChIKey of 2-hydroxyiminocyclononan-1-one?
The InChIKey is DPOLBXGUIBLRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9-7-5-3-1-2-4-6-8(9)10-12/h12H,1-7H2.
What are the key properties of 2-hydroxyiminocyclononan-1-one?
2-hydroxyiminocyclononan-1-one has a molecular weight of 169.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminocyclononan-1-one is sourced from PubChem (CID 146812395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).