6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione

C15H23NO4 — CID 23275445

IUPAC6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione
SMILESCCC/C(=N\OCC)C1C(=O)CC(C)(C2CC2)OC1=O
InChIInChI=1S/C15H23NO4/c1-4-6-11(16-19-5-2)13-12(17)9-15(3,10-7-8-10)20-14(13)18/h10,13H,4-9H2,1-3H3/b16-11+
InChIKeyNJRFHHZFYQEXNA-LFIBNONCSA-N
MW281.35 g/mol
LogP2.48
Rot. Bonds6

About 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione

6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione (PubChem CID 23275445) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione
PubChem CID23275445
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione
SMILESCCC/C(=N\OCC)C1C(=O)CC(C)(C2CC2)OC1=O
InChIInChI=1S/C15H23NO4/c1-4-6-11(16-19-5-2)13-12(17)9-15(3,10-7-8-10)20-14(13)18/h10,13H,4-9H2,1-3H3/b16-11+
InChIKeyNJRFHHZFYQEXNA-LFIBNONCSA-N
XLogP2.48
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione?
The IUPAC name of 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione (CID 23275445) is 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione.
What is the SMILES notation for 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione?
The canonical SMILES for 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione is CCC/C(=N\OCC)C1C(=O)CC(C)(C2CC2)OC1=O.
What is the InChIKey of 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione?
The InChIKey is NJRFHHZFYQEXNA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-6-11(16-19-5-2)13-12(17)9-15(3,10-7-8-10)20-14(13)18/h10,13H,4-9H2,1-3H3/b16-11+.
What are the key properties of 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione?
6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione has a molecular weight of 281.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-6-methyloxane-2,4-dione is sourced from PubChem (CID 23275445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).