ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide

C13H25N3O3 — CID 153342824

IUPACethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
SMILESCC.CC1CC(=O)N(CCCCCC(=O)NN)C1=O
InChIInChI=1S/C11H19N3O3.C2H6/c1-8-7-10(16)14(11(8)17)6-4-2-3-5-9(15)13-12;1-2/h8H,2-7,12H2,1H3,(H,13,15);1-2H3
InChIKeyQNKLIKVLANMUJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.96
Rot. Bonds6

About ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide

ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide (PubChem CID 153342824) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide.

Molecular Properties

Compound Nameethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
PubChem CID153342824
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
SMILESCC.CC1CC(=O)N(CCCCCC(=O)NN)C1=O
InChIInChI=1S/C11H19N3O3.C2H6/c1-8-7-10(16)14(11(8)17)6-4-2-3-5-9(15)13-12;1-2/h8H,2-7,12H2,1H3,(H,13,15);1-2H3
InChIKeyQNKLIKVLANMUJW-UHFFFAOYSA-N
XLogP0.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
ethane;4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 145224395
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
CID 121328368
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethyl N-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethyl]carbamate
CID 71121241
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834

Frequently Asked Questions

What is the IUPAC name of ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide?
The IUPAC name of ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide (CID 153342824) is ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide.
What is the SMILES notation for ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide?
The canonical SMILES for ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide is CC.CC1CC(=O)N(CCCCCC(=O)NN)C1=O.
What is the InChIKey of ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide?
The InChIKey is QNKLIKVLANMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3.C2H6/c1-8-7-10(16)14(11(8)17)6-4-2-3-5-9(15)13-12;1-2/h8H,2-7,12H2,1H3,(H,13,15);1-2H3.
What are the key properties of ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide?
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide has a molecular weight of 271.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide is sourced from PubChem (CID 153342824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).