6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide

C15H24N2O3 — CID 58520730

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O3/c1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20/h9-10H,2-8,11-12H2,1H3,(H,16,18)
InChIKeyWZWMBUNOSIKAHJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.78
Rot. Bonds10

About 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide

6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide (PubChem CID 58520730) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide
PubChem CID58520730
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O3/c1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20/h9-10H,2-8,11-12H2,1H3,(H,16,18)
InChIKeyWZWMBUNOSIKAHJ-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.78
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 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide (CID 58520730) is 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide is CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide?
The InChIKey is WZWMBUNOSIKAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20/h9-10H,2-8,11-12H2,1H3,(H,16,18).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide has a molecular weight of 280.37 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide is sourced from PubChem (CID 58520730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).