8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate

C16H23NO4 — CID 141319483

IUPAC8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C16H23NO4/c1-3-15(19)21-11-9-7-5-4-6-8-10-13-12-14(18)17(2)16(13)20/h3,10H,1,4-9,11-12H2,2H3
InChIKeyXIVNDGMRDIPDSL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.37
Rot. Bonds9

About 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate

8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate (PubChem CID 141319483) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate.

Molecular Properties

Compound Name8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate
PubChem CID141319483
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C16H23NO4/c1-3-15(19)21-11-9-7-5-4-6-8-10-13-12-14(18)17(2)16(13)20/h3,10H,1,4-9,11-12H2,2H3
InChIKeyXIVNDGMRDIPDSL-UHFFFAOYSA-N
XLogP2.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate?
The IUPAC name of 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate (CID 141319483) is 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate.
What is the SMILES notation for 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate?
The canonical SMILES for 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate is C=CC(=O)OCCCCCCCC=C1CC(=O)N(C)C1=O.
What is the InChIKey of 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate?
The InChIKey is XIVNDGMRDIPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-15(19)21-11-9-7-5-4-6-8-10-13-12-14(18)17(2)16(13)20/h3,10H,1,4-9,11-12H2,2H3.
What are the key properties of 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate?
8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate has a molecular weight of 293.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate is sourced from PubChem (CID 141319483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).