propyl 3-hydroxyiminocyclopentane-1-carboxylate

C9H15NO3 — CID 88833662

IUPACpropyl 3-hydroxyiminocyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCC(=NO)C1
InChIInChI=1S/C9H15NO3/c1-2-5-13-9(11)7-3-4-8(6-7)10-12/h7,12H,2-6H2,1H3
InChIKeyXODXNAWANJLGGZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.57
Rot. Bonds3

About propyl 3-hydroxyiminocyclopentane-1-carboxylate

propyl 3-hydroxyiminocyclopentane-1-carboxylate (PubChem CID 88833662) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propyl 3-hydroxyiminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-hydroxyiminocyclopentane-1-carboxylate
PubChem CID88833662
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropyl 3-hydroxyiminocyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCC(=NO)C1
InChIInChI=1S/C9H15NO3/c1-2-5-13-9(11)7-3-4-8(6-7)10-12/h7,12H,2-6H2,1H3
InChIKeyXODXNAWANJLGGZ-UHFFFAOYSA-N
XLogP1.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.57
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 3-hydroxyiminocyclopentane-1-carboxylate?
The IUPAC name of propyl 3-hydroxyiminocyclopentane-1-carboxylate (CID 88833662) is propyl 3-hydroxyiminocyclopentane-1-carboxylate.
What is the SMILES notation for propyl 3-hydroxyiminocyclopentane-1-carboxylate?
The canonical SMILES for propyl 3-hydroxyiminocyclopentane-1-carboxylate is CCCOC(=O)C1CCC(=NO)C1.
What is the InChIKey of propyl 3-hydroxyiminocyclopentane-1-carboxylate?
The InChIKey is XODXNAWANJLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-5-13-9(11)7-3-4-8(6-7)10-12/h7,12H,2-6H2,1H3.
What are the key properties of propyl 3-hydroxyiminocyclopentane-1-carboxylate?
propyl 3-hydroxyiminocyclopentane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxyiminocyclopentane-1-carboxylate is sourced from PubChem (CID 88833662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).