propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate

C11H19NO3 — CID 88787326

IUPACpropyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate
SMILESCCCOC(=O)CC1CCC/C(=N/O)C1
InChIInChI=1S/C11H19NO3/c1-2-6-15-11(13)8-9-4-3-5-10(7-9)12-14/h9,14H,2-8H2,1H3/b12-10-
InChIKeySMUIFPOJZCZPHY-BENRWUELSA-N
MW213.28 g/mol
LogP2.35
Rot. Bonds4

About propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate

propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate (PubChem CID 88787326) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate.

Molecular Properties

Compound Namepropyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate
PubChem CID88787326
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namepropyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate
SMILESCCCOC(=O)CC1CCC/C(=N/O)C1
InChIInChI=1S/C11H19NO3/c1-2-6-15-11(13)8-9-4-3-5-10(7-9)12-14/h9,14H,2-8H2,1H3/b12-10-
InChIKeySMUIFPOJZCZPHY-BENRWUELSA-N
XLogP2.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate?
The IUPAC name of propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate (CID 88787326) is propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate.
What is the SMILES notation for propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate?
The canonical SMILES for propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate is CCCOC(=O)CC1CCC/C(=N/O)C1.
What is the InChIKey of propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate?
The InChIKey is SMUIFPOJZCZPHY-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-6-15-11(13)8-9-4-3-5-10(7-9)12-14/h9,14H,2-8H2,1H3/b12-10-.
What are the key properties of propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate?
propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate has a molecular weight of 213.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(3Z)-3-hydroxyiminocyclohexyl]acetate is sourced from PubChem (CID 88787326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).