(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride

C12H22ClNO — CID 134353387

IUPAC(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride
SMILESCC1(C)CCCC(C)(/C(Cl)=N/O)CCC1
InChIInChI=1S/C12H22ClNO/c1-11(2)6-4-8-12(3,9-5-7-11)10(13)14-15/h15H,4-9H2,1-3H3/b14-10-
InChIKeyHPLPLYVLLMLTDL-UVTDQMKNSA-N
MW231.77 g/mol
LogP4.40
Rot. Bonds1

About (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride

(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride (PubChem CID 134353387) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride
PubChem CID134353387
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride
SMILESCC1(C)CCCC(C)(/C(Cl)=N/O)CCC1
InChIInChI=1S/C12H22ClNO/c1-11(2)6-4-8-12(3,9-5-7-11)10(13)14-15/h15H,4-9H2,1-3H3/b14-10-
InChIKeyHPLPLYVLLMLTDL-UVTDQMKNSA-N
XLogP4.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 54.40
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-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride (CID 134353387) is (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride is CC1(C)CCCC(C)(/C(Cl)=N/O)CCC1.
What is the InChIKey of (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride?
The InChIKey is HPLPLYVLLMLTDL-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-11(2)6-4-8-12(3,9-5-7-11)10(13)14-15/h15H,4-9H2,1-3H3/b14-10-.
What are the key properties of (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride?
(1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride has a molecular weight of 231.77 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-1,5,5-trimethylcyclooctane-1-carboximidoyl chloride is sourced from PubChem (CID 134353387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).