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

C14H22N2O3 — CID 139747979

IUPAC3-nonyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-9-11-10-12(17)16(13(11)18)14(15)19/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyRKIDAPFNKNCWSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds8

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

3-nonyl-2,5-dioxopyrrole-1-carboxamide (PubChem CID 139747979) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-nonyl-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound Name3-nonyl-2,5-dioxopyrrole-1-carboxamide
PubChem CID139747979
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-nonyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-9-11-10-12(17)16(13(11)18)14(15)19/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyRKIDAPFNKNCWSF-UHFFFAOYSA-N
XLogP2.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 3-nonyl-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of 3-nonyl-2,5-dioxopyrrole-1-carboxamide (CID 139747979) is 3-nonyl-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for 3-nonyl-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for 3-nonyl-2,5-dioxopyrrole-1-carboxamide is CCCCCCCCCC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 3-nonyl-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is RKIDAPFNKNCWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-9-11-10-12(17)16(13(11)18)14(15)19/h10H,2-9H2,1H3,(H2,15,19).
What are the key properties of 3-nonyl-2,5-dioxopyrrole-1-carboxamide?
3-nonyl-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyl-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 139747979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).