6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen

C11H21N3O3 — CID 169205494

IUPAC6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
SMILESCNNC(=O)CCCCCN1C(=O)C=CC1=O.[H][H].[H][H]
InChIInChI=1S/C11H17N3O3.2H2/c1-12-13-9(15)5-3-2-4-8-14-10(16)6-7-11(14)17;;/h6-7,12H,2-5,8H2,1H3,(H,13,15);2*1H
InChIKeyMQUNUGYLASZDPV-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.21
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen

6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen (PubChem CID 169205494) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
PubChem CID169205494
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
SMILESCNNC(=O)CCCCCN1C(=O)C=CC1=O.[H][H].[H][H]
InChIInChI=1S/C11H17N3O3.2H2/c1-12-13-9(15)5-3-2-4-8-14-10(16)6-7-11(14)17;;/h6-7,12H,2-5,8H2,1H3,(H,13,15);2*1H
InChIKeyMQUNUGYLASZDPV-UHFFFAOYSA-N
XLogP0.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.21
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

6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-(2,5-dioxopyrrol-1-yl)-N-(propan-2-ylideneamino)hexanamide
CID 25001613
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;formic acid
CID 169179798

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen (CID 169205494) is 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen is CNNC(=O)CCCCCN1C(=O)C=CC1=O.[H][H].[H][H].
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen?
The InChIKey is MQUNUGYLASZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.2H2/c1-12-13-9(15)5-3-2-4-8-14-10(16)6-7-11(14)17;;/h6-7,12H,2-5,8H2,1H3,(H,13,15);2*1H.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen?
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen has a molecular weight of 243.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen is sourced from PubChem (CID 169205494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).