2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde

C41H74N8O16S4 — CID 161245768

About 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde

2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde (PubChem CID 161245768) has the molecular formula C41H74N8O16S4 and a molecular weight of 1063.35 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde.

Molecular Properties

• Compound Name: 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde
• PubChem CID: 161245768
• Molecular Formula: C41H74N8O16S4
• Molecular Weight: 1063.35 g/mol
• Exact Mass: 1062.41
• IUPAC Name: 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde
• SMILES: C=C.C=C.CC(=O)CSCC=O.CC(=O)SCC(=O)ON1C(=O)CCC1=O.CCC(=O)CN1C(=O)C=CC1=O.CCC(=O)CN1C(=O)CC(SCC=O)C1=O.CN.CN.CN.CN.NO.O=CCS
• InChI: InChI=1S/C10H13NO4S.C8H9NO5S.C8H9NO3.C5H8O2S.C2H4OS.2C2H4.4CH5N.H3NO/c1-2-7(13)6-11-9(14)5-8(10(11)15)16-4-3-12;1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12;1-2-6(10)5-9-7(11)3-4-8(9)12;1-5(7)4-8-3-2-6;3-1-2-4;7*1-2/h3,8H,2,4-6H2,1H3;2-4H2,1H3;3-4H,2,5H2,1H3;2H,3-4H2,1H3;1,4H,2H2;2*1-2H2;4*2H2,1H3;2H,1H2
• InChIKey: VAPPVHBHFMHRSV-UHFFFAOYSA-N
• XLogP: -0.35
• TPSA: 408.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.35
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde?

The IUPAC name of 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde (CID 161245768) is 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde.

What is the SMILES notation for 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde?

The canonical SMILES for 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde is C=C.C=C.CC(=O)CSCC=O.CC(=O)SCC(=O)ON1C(=O)CCC1=O.CCC(=O)CN1C(=O)C=CC1=O.CCC(=O)CN1C(=O)CC(SCC=O)C1=O.CN.CN.CN.CN.NO.O=CCS.

What is the InChIKey of 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde?

The InChIKey is VAPPVHBHFMHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S.C8H9NO5S.C8H9NO3.C5H8O2S.C2H4OS.2C2H4.4CH5N.H3NO/c1-2-7(13)6-11-9(14)5-8(10(11)15)16-4-3-12;1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12;1-2-6(10)5-9-7(11)3-4-8(9)12;1-5(7)4-8-3-2-6;3-1-2-4;7*1-2/h3,8H,2,4-6H2,1H3;2-4H2,1H3;3-4H,2,5H2,1H3;2H,3-4H2,1H3;1,4H,2H2;2*1-2H2;4*2H2,1H3;2H,1H2.

What are the key properties of 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde?

2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde has a molecular weight of 1063.35 g/mol, XLogP of -0.35, 17 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-dioxo-1-(2-oxobutyl)pyrrolidin-3-yl]sulfanylacetaldehyde;(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;ethene;hydroxylamine;methanamine;1-(2-oxobutyl)pyrrole-2,5-dione;2-(2-oxopropylsulfanyl)acetaldehyde;2-sulfanylacetaldehyde is sourced from PubChem (CID 161245768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).