(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide

C15H20N2O4 — CID 163501013

IUPAC(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CCCCCCN1C(=O)C=CC1=O)C(=O)/C=C\C=O
InChIInChI=1S/C15H20N2O4/c1-16(13(19)7-6-12-18)10-4-2-3-5-11-17-14(20)8-9-15(17)21/h6-9,12H,2-5,10-11H2,1H3/b7-6-
InChIKeyCUSNGGVKRAPYDS-SREVYHEPSA-N
MW292.33 g/mol
LogP0.69
Rot. Bonds9

About (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide

(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide (PubChem CID 163501013) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide
PubChem CID163501013
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CCCCCCN1C(=O)C=CC1=O)C(=O)/C=C\C=O
InChIInChI=1S/C15H20N2O4/c1-16(13(19)7-6-12-18)10-4-2-3-5-11-17-14(20)8-9-15(17)21/h6-9,12H,2-5,10-11H2,1H3/b7-6-
InChIKeyCUSNGGVKRAPYDS-SREVYHEPSA-N
XLogP0.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)propanal;(Z)-N-methyl-4-oxo-N-pent-4-ynylbut-2-enamide;N-methylprop-2-yn-1-amine
CID 142256697
(Z)-N-methyl-N-[6-(3-methylazetidin-1-yl)-6-oxohexyl]-4-oxobut-2-enamide
CID 145077046
ethane;methanamine;6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]-N-(2-oxoethyl)hexanamide
CID 177148979
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-[(2,5-dioxopyrrol-1-yl)methyl]-6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoic acid
CID 145195687
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369721
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide (CID 163501013) is (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide is CN(CCCCCCN1C(=O)C=CC1=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide?
The InChIKey is CUSNGGVKRAPYDS-SREVYHEPSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(13(19)7-6-12-18)10-4-2-3-5-11-17-14(20)8-9-15(17)21/h6-9,12H,2-5,10-11H2,1H3/b7-6-.
What are the key properties of (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide?
(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide has a molecular weight of 292.33 g/mol, XLogP of 0.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 163501013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).