N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide

C14H18N2O3 — CID 130442028

IUPACN-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide
SMILESC=C/C=C1/C(=O)N(C(C)C(=O)NCC)C(=O)/C1=C/C
InChIInChI=1S/C14H18N2O3/c1-5-8-11-10(6-2)13(18)16(14(11)19)9(4)12(17)15-7-3/h5-6,8-9H,1,7H2,2-4H3,(H,15,17)/b10-6+,11-8+
InChIKeyAZLNTZOULARUDR-NSJFVGFPSA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds4

About N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide

N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide (PubChem CID 130442028) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide
PubChem CID130442028
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide
SMILESC=C/C=C1/C(=O)N(C(C)C(=O)NCC)C(=O)/C1=C/C
InChIInChI=1S/C14H18N2O3/c1-5-8-11-10(6-2)13(18)16(14(11)19)9(4)12(17)15-7-3/h5-6,8-9H,1,7H2,2-4H3,(H,15,17)/b10-6+,11-8+
InChIKeyAZLNTZOULARUDR-NSJFVGFPSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide?
The IUPAC name of N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide (CID 130442028) is N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide is C=C/C=C1/C(=O)N(C(C)C(=O)NCC)C(=O)/C1=C/C.
What is the InChIKey of N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide?
The InChIKey is AZLNTZOULARUDR-NSJFVGFPSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-8-11-10(6-2)13(18)16(14(11)19)9(4)12(17)15-7-3/h5-6,8-9H,1,7H2,2-4H3,(H,15,17)/b10-6+,11-8+.
What are the key properties of N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide?
N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide is sourced from PubChem (CID 130442028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).