formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate

C17H34N2O7 — CID 157454881

IUPACformaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate
SMILESC.C.C=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O.C=O.O.[H]N=C
InChIInChI=1S/C13H19NO5.CH3N.CH2O.2CH4.H2O/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18;2*1-2;;;/h3,9,11,15H,1,4-8H2,2H3;2H,1H2;1H2;2*1H4;1H2
InChIKeyCODXRXYLQBKPCJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.27
Rot. Bonds8

About formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate

formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate (PubChem CID 157454881) has the molecular formula C17H34N2O7 and a molecular weight of 378.47 g/mol. Its IUPAC name is formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate.

Molecular Properties

Compound Nameformaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate
PubChem CID157454881
Molecular FormulaC17H34N2O7
Molecular Weight378.47 g/mol
Exact Mass378.24
IUPAC Nameformaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate
SMILESC.C.C=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O.C=O.O.[H]N=C
InChIInChI=1S/C13H19NO5.CH3N.CH2O.2CH4.H2O/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18;2*1-2;;;/h3,9,11,15H,1,4-8H2,2H3;2H,1H2;1H2;2*1H4;1H2
InChIKeyCODXRXYLQBKPCJ-UHFFFAOYSA-N
XLogP1.27
TPSA156.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate 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 formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate?
The IUPAC name of formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate (CID 157454881) is formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate.
What is the SMILES notation for formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate?
The canonical SMILES for formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate is C.C.C=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O.C=O.O.[H]N=C.
What is the InChIKey of formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate?
The InChIKey is CODXRXYLQBKPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5.CH3N.CH2O.2CH4.H2O/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18;2*1-2;;;/h3,9,11,15H,1,4-8H2,2H3;2H,1H2;1H2;2*1H4;1H2.
What are the key properties of formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate?
formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate has a molecular weight of 378.47 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate is sourced from PubChem (CID 157454881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).