3-decyl-2,5-dioxopyrrole-1-carboxamide

C15H24N2O3 — CID 139748000

IUPAC3-decyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(18)17(14(12)19)15(16)20/h11H,2-10H2,1H3,(H2,16,20)
InChIKeySDGWSLDHWFADBD-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.89
Rot. Bonds9

About 3-decyl-2,5-dioxopyrrole-1-carboxamide

3-decyl-2,5-dioxopyrrole-1-carboxamide (PubChem CID 139748000) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-decyl-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound Name3-decyl-2,5-dioxopyrrole-1-carboxamide
PubChem CID139748000
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-decyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(18)17(14(12)19)15(16)20/h11H,2-10H2,1H3,(H2,16,20)
InChIKeySDGWSLDHWFADBD-UHFFFAOYSA-N
XLogP2.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-1-[2-(3-hexyl-2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 57273700
4-hexyl-1-methyl-5-sulfanylidenepyrrol-2-one
CID 141292545
1-[[2-[(2,5-dioxo-3-tetradecylpyrrol-1-yl)methyl]phenyl]methyl]-3-tetradecylpyrrole-2,5-dione
CID 57059146
3-heptyl-1-[[2-[(3-heptyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2,5-dione
CID 57054989
2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
2,6-diheptylcyclohexa-2,5-diene-1,4-dione
CID 169217749
3-hexylfuran-2,5-dione
CID 15882442
3-tetradecylfuran-2,5-dione
CID 10565758
3-butyl-1-methylpyrrole-2,5-dione;fluoroform
CID 175284367
ethyl 3-(hexylamino)-2,5-dioxopyrrole-1-carboxylate
CID 12802303
5-(dibromomethylidene)-4-heptylfuran-2-one
CID 10269415
2-heptylcyclohexa-2,5-diene-1,4-dione
CID 154029427

Frequently Asked Questions

What is the IUPAC name of 3-decyl-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of 3-decyl-2,5-dioxopyrrole-1-carboxamide (CID 139748000) is 3-decyl-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for 3-decyl-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for 3-decyl-2,5-dioxopyrrole-1-carboxamide is CCCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 3-decyl-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is SDGWSLDHWFADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(18)17(14(12)19)15(16)20/h11H,2-10H2,1H3,(H2,16,20).
What are the key properties of 3-decyl-2,5-dioxopyrrole-1-carboxamide?
3-decyl-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 139748000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).