azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione

C14H27N3O5 — CID 159261355

IUPACazane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione
SMILESC.CCCC(O)C#N.CCCC1CC(=O)NC1=O.N.O=C=O
InChIInChI=1S/C7H11NO2.C5H9NO.CO2.CH4.H3N/c1-2-3-5-4-6(9)8-7(5)10;1-2-3-5(7)4-6;2-1-3;;/h5H,2-4H2,1H3,(H,8,9,10);5,7H,2-3H2,1H3;;1H4;1H3
InChIKeyCLBZQAQLUMSVBE-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.33
Rot. Bonds4

About azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione

azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione (PubChem CID 159261355) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameazane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione
PubChem CID159261355
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Nameazane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione
SMILESC.CCCC(O)C#N.CCCC1CC(=O)NC1=O.N.O=C=O
InChIInChI=1S/C7H11NO2.C5H9NO.CO2.CH4.H3N/c1-2-3-5-4-6(9)8-7(5)10;1-2-3-5(7)4-6;2-1-3;;/h5H,2-4H2,1H3,(H,8,9,10);5,7H,2-3H2,1H3;;1H4;1H3
InChIKeyCLBZQAQLUMSVBE-UHFFFAOYSA-N
XLogP1.33
TPSA159.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxypentanenitrile
CID 12548639
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 130019803
azane;carbon dioxide;2-hydroxy-4-methylsulfanylbutanenitrile;methane;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione;hydrate
CID 158346389
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-(2-ethylhexyl)pyrrolidine-2,5-dione
CID 172620709
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
3-(3-acetylhexyl)piperidine-2,6-dione
CID 91137997
(3R,4S)-2,6-dioxo-4-undecylpiperidine-3-carbonitrile
CID 98131483
3-heptadecan-3-ylpyrrolidine-2,5-dione
CID 69050802
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
ethane;propane;3-sulfanylpyrrolidine-2,5-dione
CID 144975396

Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione?
The IUPAC name of azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione (CID 159261355) is azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione?
The canonical SMILES for azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione is C.CCCC(O)C#N.CCCC1CC(=O)NC1=O.N.O=C=O.
What is the InChIKey of azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione?
The InChIKey is CLBZQAQLUMSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C5H9NO.CO2.CH4.H3N/c1-2-3-5-4-6(9)8-7(5)10;1-2-3-5(7)4-6;2-1-3;;/h5H,2-4H2,1H3,(H,8,9,10);5,7H,2-3H2,1H3;;1H4;1H3.
What are the key properties of azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione?
azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 159261355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).