(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride

C9H14ClNO — CID 139364900

IUPAC(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride
SMILESO/N=C(\Cl)C12CCC(CC1)CC2
InChIInChI=1S/C9H14ClNO/c10-8(11-12)9-4-1-7(2-5-9)3-6-9/h7,12H,1-6H2/b11-8-
InChIKeyLEQXPLPFEBPVLG-FLIBITNWSA-N
MW187.67 g/mol
LogP2.98
Rot. Bonds1

About (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride

(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride (PubChem CID 139364900) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride
PubChem CID139364900
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride
SMILESO/N=C(\Cl)C12CCC(CC1)CC2
InChIInChI=1S/C9H14ClNO/c10-8(11-12)9-4-1-7(2-5-9)3-6-9/h7,12H,1-6H2/b11-8-
InChIKeyLEQXPLPFEBPVLG-FLIBITNWSA-N
XLogP2.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride (CID 139364900) is (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride is O/N=C(\Cl)C12CCC(CC1)CC2.
What is the InChIKey of (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride?
The InChIKey is LEQXPLPFEBPVLG-FLIBITNWSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-8(11-12)9-4-1-7(2-5-9)3-6-9/h7,12H,1-6H2/b11-8-.
What are the key properties of (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride?
(1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride has a molecular weight of 187.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxybicyclo[2.2.2]octane-1-carboximidoyl chloride is sourced from PubChem (CID 139364900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).