6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide

C13H19N3O3 — CID 25001613

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
SMILESCC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O3/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19/h7-8H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyZBMVHPIBKQKSFX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide (PubChem CID 25001613) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
PubChem CID25001613
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
SMILESCC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O3/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19/h7-8H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyZBMVHPIBKQKSFX-UHFFFAOYSA-N
XLogP0.98
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

azanide;cobalt;6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide;propane
CID 160792988
6-(2,5-dioxopyrrol-1-yl)-N-[(E)-1-(4-propan-2-ylphenyl)ethylideneamino]hexanamide
CID 138751819
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
6-(2,5-dioxopyrrol-1-yl)-N-[(E)-2-(methyldisulfanyl)ethylideneamino]hexanamide
CID 126759100
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
CID 169205494
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 144604040
ethyl N-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxypropyl]ethanimidate
CID 66709454
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide (CID 25001613) is 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide is CC(C)=NNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide?
The InChIKey is ZBMVHPIBKQKSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(2)14-15-11(17)6-4-3-5-9-16-12(18)7-8-13(16)19/h7-8H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide has a molecular weight of 265.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide is sourced from PubChem (CID 25001613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).