6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate

C14H19NO4 — CID 141320711

IUPAC6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C14H19NO4/c1-3-13(17)19-9-7-5-4-6-8-11-10-12(16)15(2)14(11)18/h3,8H,1,4-7,9-10H2,2H3
InChIKeyBPWAAJMWTXHPAY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.59
Rot. Bonds7

About 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate

6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate (PubChem CID 141320711) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate
PubChem CID141320711
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C14H19NO4/c1-3-13(17)19-9-7-5-4-6-8-11-10-12(16)15(2)14(11)18/h3,8H,1,4-7,9-10H2,2H3
InChIKeyBPWAAJMWTXHPAY-UHFFFAOYSA-N
XLogP1.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.59
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 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate?
The IUPAC name of 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate (CID 141320711) is 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate.
What is the SMILES notation for 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate?
The canonical SMILES for 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate is C=CC(=O)OCCCCCC=C1CC(=O)N(C)C1=O.
What is the InChIKey of 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate?
The InChIKey is BPWAAJMWTXHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-13(17)19-9-7-5-4-6-8-11-10-12(16)15(2)14(11)18/h3,8H,1,4-7,9-10H2,2H3.
What are the key properties of 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate?
6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate is sourced from PubChem (CID 141320711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).