N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide

C15H23N3O3 — CID 121327450

IUPACN-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCCCCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C15H23N3O3/c19-13-7-8-14(20)18(13)12-4-2-1-3-9-16-15(21)17-10-5-6-11-17/h7-8H,1-6,9-12H2,(H,16,21)
InChIKeyPNVVFIJUPWCTKA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.28
Rot. Bonds7

About N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide

N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide (PubChem CID 121327450) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
PubChem CID121327450
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCCCCN1C(=O)C=CC1=O)N1CCCC1
InChIInChI=1S/C15H23N3O3/c19-13-7-8-14(20)18(13)12-4-2-1-3-9-16-15(21)17-10-5-6-11-17/h7-8H,1-6,9-12H2,(H,16,21)
InChIKeyPNVVFIJUPWCTKA-UHFFFAOYSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.28
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

6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperidin-1-ylhexyl)hexanamide;ethane;molecular hydrogen
CID 145076573
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
6-(2,5-dioxopyrrol-1-yl)-N-(6-oxo-6-piperazin-1-ylhexyl)hexanamide
CID 176889453
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
6-(2,5-dioxopyrrol-1-yl)-N-[6-[(3S)-3-methylpyrrolidin-1-yl]-6-oxohexyl]hexanamide
CID 121327411
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
2-[3,5-bis[2-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 58986528

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide (CID 121327450) is N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide is O=C(NCCCCCCN1C(=O)C=CC1=O)N1CCCC1.
What is the InChIKey of N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide?
The InChIKey is PNVVFIJUPWCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13-7-8-14(20)18(13)12-4-2-1-3-9-16-15(21)17-10-5-6-11-17/h7-8H,1-6,9-12H2,(H,16,21).
What are the key properties of N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide?
N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 121327450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).