11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide

C16H27N3O3 — CID 147575393

IUPAC11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide
SMILESCNNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N3O3/c1-17-18-14(20)10-8-6-4-2-3-5-7-9-13-19-15(21)11-12-16(19)22/h11-12,17H,2-10,13H2,1H3,(H,18,20)
InChIKeyFVJIDUSCAOXQNT-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.67
Rot. Bonds12

About 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide

11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide (PubChem CID 147575393) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide.

Molecular Properties

Compound Name11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide
PubChem CID147575393
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide
SMILESCNNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N3O3/c1-17-18-14(20)10-8-6-4-2-3-5-7-9-13-19-15(21)11-12-16(19)22/h11-12,17H,2-10,13H2,1H3,(H,18,20)
InChIKeyFVJIDUSCAOXQNT-UHFFFAOYSA-N
XLogP1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
CID 4170354
Potassium;carbanide;11-(2,5-dioxopyrrol-1-yl)undecanehydrazide;2,2,2-trifluoroacetate;uranium
CID 162130462
KMUH (N-(kappa-maleimidoundecanoic acid) hydrazide, trifluoroacetic acid salt)
CID 124202979
11-Maleimidoundecanoic Acid Hydrazide
CID 4438236
CID 58520720
CID 58520720
11-(2,5-dioxopyrrol-1-yl)-N-methylundecanamide
CID 58520725
N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 59867050
N-[8-(2,5-dioxopyrrol-1-yl)octyl]-11-(methylamino)undecanamide
CID 68004248
N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-2-ethylpentanehydrazide
CID 68280462
4-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 68491833
24-[Butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide
CID 70169924

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide?
The IUPAC name of 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide (CID 147575393) is 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide.
What is the SMILES notation for 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide?
The canonical SMILES for 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide is CNNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide?
The InChIKey is FVJIDUSCAOXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-17-18-14(20)10-8-6-4-2-3-5-7-9-13-19-15(21)11-12-16(19)22/h11-12,17H,2-10,13H2,1H3,(H,18,20).
What are the key properties of 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide?
11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide has a molecular weight of 309.41 g/mol, XLogP of 1.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide is sourced from PubChem (CID 147575393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).