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

C15H18N2O5 — CID 177233761

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide
SMILESCN(C(=O)/C=C\C=O)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O5/c1-16(13(20)7-5-11-18)12(19)6-3-2-4-10-17-14(21)8-9-15(17)22/h5,7-9,11H,2-4,6,10H2,1H3/b7-5-
InChIKeyDNKXNMJCCFCARL-ALCCZGGFSA-N
MW306.32 g/mol
LogP0.21
Rot. Bonds8

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

6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide (PubChem CID 177233761) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide
PubChem CID177233761
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide
SMILESCN(C(=O)/C=C\C=O)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O5/c1-16(13(20)7-5-11-18)12(19)6-3-2-4-10-17-14(21)8-9-15(17)22/h5,7-9,11H,2-4,6,10H2,1H3/b7-5-
InChIKeyDNKXNMJCCFCARL-ALCCZGGFSA-N
XLogP0.21
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide (CID 177233761) is 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide is CN(C(=O)/C=C\C=O)C(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide?
The InChIKey is DNKXNMJCCFCARL-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-16(13(20)7-5-11-18)12(19)6-3-2-4-10-17-14(21)8-9-15(17)22/h5,7-9,11H,2-4,6,10H2,1H3/b7-5-.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide has a molecular weight of 306.32 g/mol, XLogP of 0.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide is sourced from PubChem (CID 177233761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).