N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide

C12H18N2O3 — CID 58525930

IUPACN-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide
SMILESCNC(=O)CCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C12H18N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyJNLSFGBTTXCIEG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds6

About N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide

N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide (PubChem CID 58525930) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide
PubChem CID58525930
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide
SMILESCNC(=O)CCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C12H18N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyJNLSFGBTTXCIEG-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
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 N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide?
The IUPAC name of N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide (CID 58525930) is N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide.
What is the SMILES notation for N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide?
The canonical SMILES for N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide is CNC(=O)CCCCCN1C(=O)C=C(C)C1=O.
What is the InChIKey of N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide?
The InChIKey is JNLSFGBTTXCIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide?
N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide has a molecular weight of 238.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanamide is sourced from PubChem (CID 58525930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).